5-Bromo-3-ethynylpyridin-2-amine

• CAS: 1210838-82-6
• Catalog Number: ACM1210838826
• Category: Bromine Series
• Molecular Weight: 197.032000 [g/mol]
• Molecular Formula: C₇H₅BrN₂
• Synonyms: 5-Bromo-3-ethynylpyridin-2-ylamine, 1210838-82-6, 5-bromo-3-ethynylpyridin-2-amine, CTK4B2172, MolPort-009-197-663, ANW-50926, AKOS006302680, AG-L-20809, RL00880, AK-24377, BR-24377, KB-42247, X9469
• IUPAC Name: 5-bromo-3-ethynylpyridin-2-amine
• Canonical SMILES: C#CC1=CC(=CN=C1N)Br
• InChI Key: MKIMFNOYJFCQRQ-UHFFFAOYSA-N
• Exact Mass: 195.96400
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-3-ethynylpyridin-2-amine.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H5BrN2.

What is the molecular weight of the compound?

The molecular weight of the compound is 197.03 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H5BrN2/c1-2-5-3-6(8)4-10-7(5)9/h1,3-4H,(H2,9,10).

What is the InChIKey of the compound?

The InChIKey of the compound is MKIMFNOYJFCQRQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C#CC1=C(N=CC(=C1)Br)N.

What is the CAS number of the compound?

The CAS number of the compound is 1210838-82-6.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.4.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond count does the compound have?

The compound has 1 rotatable bond count.