2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile

C8H7BrN2 — CID 119085762

IUPAC2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
SMILESCc1ccc(Br)c(CC#N)n1
InChIInChI=1S/C8H7BrN2/c1-6-2-3-7(9)8(11-6)4-5-10/h2-3H,4H2,1H3
InChIKeyNVTGGEOTSJTJAF-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.22
Rot. Bonds1

About 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile

2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile (PubChem CID 119085762) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
PubChem CID119085762
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
SMILESCc1ccc(Br)c(CC#N)n1
InChIInChI=1S/C8H7BrN2/c1-6-2-3-7(9)8(11-6)4-5-10/h2-3H,4H2,1H3
InChIKeyNVTGGEOTSJTJAF-UHFFFAOYSA-N
XLogP2.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine
CID 83886539
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131216692
2-benzyl-3-bromo-6-methylpyridine
CID 142178472
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
2-(2-bromo-5-methylphenyl)acetonitrile
CID 59396519
2-(6-bromo-3-methylquinolin-2-yl)acetonitrile
CID 84638449
2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
CID 131117863
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile
CID 175601679
3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
CID 167650233

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile (CID 119085762) is 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile is Cc1ccc(Br)c(CC#N)n1.
What is the InChIKey of 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile?
The InChIKey is NVTGGEOTSJTJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-6-2-3-7(9)8(11-6)4-5-10/h2-3H,4H2,1H3.
What are the key properties of 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile?
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile has a molecular weight of 211.06 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 119085762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).