3-(Difluoromethyl)pyridine

• CAS: 76541-44-1
• Catalog Number: ACM76541441
• Category: Other Products; Fluorinated Azaindoles
• Molecular Weight: 129.11
• Molecular Formula: C₆H₅NF₂
• Synonyms: 3-(difluoromethyl)pyridine, pyridine, 3-(difluoromethyl)-, EINECS 278-487-6, MolPort-004-801-284, CID640475, MFCD11226584, InChI=1/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6, 76541-44-1
• IUPAC Name: 3-(difluoromethyl)pyridine
• Canonical SMILES: C1=CC(=CN=C1)C(F)F
• InChI Key: HKRKGTFBASUFRO-UHFFFAOYSA-N
• Boiling Point: 165.5ºC at 760 mmHg
• Flash Point: 53.9ºC
• Density: 1.167g/cm³
• EC Number: 278-487-6
• Exact Mass: 129.03900
• Hazard Statements: H302
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-(difluoromethyl)pyridine?

The molecular formula of 3-(difluoromethyl)pyridine is C6H5F2N.

What is the molecular weight of 3-(difluoromethyl)pyridine?

The molecular weight of 3-(difluoromethyl)pyridine is 129.11 g/mol.

What is the IUPAC name of 3-(difluoromethyl)pyridine?

The IUPAC name of 3-(difluoromethyl)pyridine is 3-(difluoromethyl)pyridine.

What is the InChI of 3-(difluoromethyl)pyridine?

The InChI of 3-(difluoromethyl)pyridine is InChI=1S/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6H.

What is the InChIKey of 3-(difluoromethyl)pyridine?

The InChIKey of 3-(difluoromethyl)pyridine is HKRKGTFBASUFRO-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(difluoromethyl)pyridine?

The canonical SMILES of 3-(difluoromethyl)pyridine is C1=CC(=CN=C1)C(F)F.

What is the CAS number of 3-(difluoromethyl)pyridine?

The CAS number of 3-(difluoromethyl)pyridine is 76541-44-1.

What is the EC number of 3-(difluoromethyl)pyridine?

The EC number of 3-(difluoromethyl)pyridine is 278-487-6.

What is the XLogP3-AA value of 3-(difluoromethyl)pyridine?

The XLogP3-AA value of 3-(difluoromethyl)pyridine is 1.5.

Is 3-(difluoromethyl)pyridine a canonicalized compound?

Yes, 3-(difluoromethyl)pyridine is a canonicalized compound.