2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile

C8H7ClN2 — CID 118828135

IUPAC2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
SMILESCc1cncc(CC#N)c1Cl
InChIInChI=1S/C8H7ClN2/c1-6-4-11-5-7(2-3-10)8(6)9/h4-5H,2H2,1H3
InChIKeyLDZHLQMSPPKPST-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.11
Rot. Bonds1

About 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile

2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile (PubChem CID 118828135) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
PubChem CID118828135
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
SMILESCc1cncc(CC#N)c1Cl
InChIInChI=1S/C8H7ClN2/c1-6-4-11-5-7(2-3-10)8(6)9/h4-5H,2H2,1H3
InChIKeyLDZHLQMSPPKPST-UHFFFAOYSA-N
XLogP2.11
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-(cyanomethyl)pyridine-3-carbonyl chloride
CID 87727762
2-(2-chloro-5-hydroxy-3-methylphenyl)acetonitrile
CID 84768636
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile
CID 130047648
2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile
CID 171567060
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile
CID 174282228
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile
CID 84765349
2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile
CID 131491590
2-(4-chloro-5-iodo-2-methylphenyl)acetonitrile
CID 171004334

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile (CID 118828135) is 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile is Cc1cncc(CC#N)c1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile?
The InChIKey is LDZHLQMSPPKPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-6-4-11-5-7(2-3-10)8(6)9/h4-5H,2H2,1H3.
What are the key properties of 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile?
2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile has a molecular weight of 166.61 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 118828135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).