2-(5-amino-3-bromo-2-pyridinyl)acetonitrile

C7H6BrN3 — CID 131070766

IUPAC2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
SMILESN#CCc1ncc(N)cc1Br
InChIInChI=1S/C7H6BrN3/c8-6-3-5(10)4-11-7(6)1-2-9/h3-4H,1,10H2
InChIKeyBFOIXYGDRZBJJM-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.49
Rot. Bonds1

About 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile

2-(5-amino-3-bromo-2-pyridinyl)acetonitrile (PubChem CID 131070766) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
PubChem CID131070766
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
SMILESN#CCc1ncc(N)cc1Br
InChIInChI=1S/C7H6BrN3/c8-6-3-5(10)4-11-7(6)1-2-9/h3-4H,1,10H2
InChIKeyBFOIXYGDRZBJJM-UHFFFAOYSA-N
XLogP1.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-ethylpyridin-3-amine
CID 105453283
2-(5-bromo-3-iodo-2-pyridinyl)acetonitrile
CID 133060944
2-(3-amino-5-methyl-2-pyridinyl)acetonitrile
CID 131170133
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130663375
5-bromo-6-iodopyridin-3-amine
CID 130668918
2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
CID 84763072
2-(3,5-diiodo-2-pyridinyl)acetonitrile
CID 133057014
2-(5-aminopyrimidin-4-yl)acetonitrile
CID 84762390
2-[5-bromo-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130069322
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile (CID 131070766) is 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile is N#CCc1ncc(N)cc1Br.
What is the InChIKey of 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile?
The InChIKey is BFOIXYGDRZBJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-6-3-5(10)4-11-7(6)1-2-9/h3-4H,1,10H2.
What are the key properties of 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile?
2-(5-amino-3-bromo-2-pyridinyl)acetonitrile has a molecular weight of 212.05 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-bromo-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131070766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).