Structure

2-Bromo-3-iodo-5-picoline

CAS
65550-82-5
Catalog Number
ACM65550825
Category
Bromine Series
Molecular Weight
297.91907
Molecular Formula
C6H5BrIN

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Specification

Synonyms
2-BROMO-3-IODO-5-METHYLPYRIDINE
IUPAC Name
2-bromo-3-iodo-5-methylpyridine
Canonical SMILES
CC1=CC(=C(N=C1)Br)I
InChI Key
JRDURDSKNUSNRW-UHFFFAOYSA-N
Boiling Point
306.3ºC at 760 mmHg
Melting Point
84-86ºC
Flash Point
139ºC
Density
2.171g/cm³
Appearance
White or cream-colored crystals
Exact Mass
296.86500
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 2-Bromo-3-iodo-5-picoline?

The molecular formula is C6H5BrIN.

What is the molecular weight of 2-Bromo-3-iodo-5-picoline?

The molecular weight is 297.92 g/mol.

What is the IUPAC name of 2-Bromo-3-iodo-5-picoline?

The IUPAC name is 2-bromo-3-iodo-5-methylpyridine.

What is the InChI of 2-Bromo-3-iodo-5-picoline?

The InChI is InChI=1S/C6H5BrIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3.

What is the InChIKey of 2-Bromo-3-iodo-5-picoline?

The InChIKey is JRDURDSKNUSNRW-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-3-iodo-5-picoline?

The canonical SMILES is CC1=CC(=C(N=C1)Br)I.

What is the CAS number of 2-Bromo-3-iodo-5-picoline?

The CAS number is 65550-82-5.

What is the XLogP3-AA value of 2-Bromo-3-iodo-5-picoline?

The XLogP3-AA value is 2.9.

What is the hydrogen bond donor count of 2-Bromo-3-iodo-5-picoline?

The hydrogen bond donor count is 0.

Is 2-Bromo-3-iodo-5-picoline a canonicalized compound?

Yes, 2-Bromo-3-iodo-5-picoline is a canonicalized compound.

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