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

C9H7ClF2N2 — CID 130074269

IUPAC2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(Cl)c(C(F)F)nc1CC#N
InChIInChI=1S/C9H7ClF2N2/c1-5-4-6(10)8(9(11)12)14-7(5)2-3-13/h4,9H,2H2,1H3
InChIKeyCQFMWQYRPFNBNS-UHFFFAOYSA-N
MW216.62 g/mol
LogP3.05
Rot. Bonds2

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

2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile (PubChem CID 130074269) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
PubChem CID130074269
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(Cl)c(C(F)F)nc1CC#N
InChIInChI=1S/C9H7ClF2N2/c1-5-4-6(10)8(9(11)12)14-7(5)2-3-13/h4,9H,2H2,1H3
InChIKeyCQFMWQYRPFNBNS-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-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
ethyl 2-[5-chloro-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029622
2-[3-(chloromethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130082190
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile (CID 130074269) is 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile is Cc1cc(Cl)c(C(F)F)nc1CC#N.
What is the InChIKey of 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
The InChIKey is CQFMWQYRPFNBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c1-5-4-6(10)8(9(11)12)14-7(5)2-3-13/h4,9H,2H2,1H3.
What are the key properties of 2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-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-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130074269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).