2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile

C9H7ClF2N2 — CID 130074290

IUPAC2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
SMILESCc1nc(C(F)F)c(CC#N)cc1Cl
InChIInChI=1S/C9H7ClF2N2/c1-5-7(10)4-6(2-3-13)8(14-5)9(11)12/h4,9H,2H2,1H3
InChIKeyMTOISLUNFNHNBP-UHFFFAOYSA-N
MW216.62 g/mol
LogP3.05
Rot. Bonds2

About 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile

2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile (PubChem CID 130074290) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
PubChem CID130074290
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
SMILESCc1nc(C(F)F)c(CC#N)cc1Cl
InChIInChI=1S/C9H7ClF2N2/c1-5-7(10)4-6(2-3-13)8(14-5)9(11)12/h4,9H,2H2,1H3
InChIKeyMTOISLUNFNHNBP-UHFFFAOYSA-N
XLogP3.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130074269
2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 119024134
5-chloro-2-(difluoromethyl)-3-fluoro-6-methylpyridine
CID 130071645
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile (CID 130074290) is 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile is Cc1nc(C(F)F)c(CC#N)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The InChIKey is MTOISLUNFNHNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c1-5-7(10)4-6(2-3-13)8(14-5)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile has a molecular weight of 216.62 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130074290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).