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

C9H7ClF2N2 — CID 119024134

IUPAC2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
SMILESCc1nc(Cl)c(CC#N)cc1C(F)F
InChIInChI=1S/C9H7ClF2N2/c1-5-7(9(11)12)4-6(2-3-13)8(10)14-5/h4,9H,2H2,1H3
InChIKeyMVXJYUHDSYOPRC-UHFFFAOYSA-N
MW216.62 g/mol
LogP3.05
Rot. Bonds2

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

2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile (PubChem CID 119024134) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
PubChem CID119024134
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
SMILESCc1nc(Cl)c(CC#N)cc1C(F)F
InChIInChI=1S/C9H7ClF2N2/c1-5-7(9(11)12)4-6(2-3-13)8(10)14-5/h4,9H,2H2,1H3
InChIKeyMVXJYUHDSYOPRC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[2-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075151
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 130074768
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile (CID 119024134) is 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile is Cc1nc(Cl)c(CC#N)cc1C(F)F.
What is the InChIKey of 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The InChIKey is MVXJYUHDSYOPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c1-5-7(9(11)12)4-6(2-3-13)8(10)14-5/h4,9H,2H2,1H3.
What are the key properties of 2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
2-[2-chloro-5-(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-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119024134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).