2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile

C9H7ClF2N2O — CID 134674914

IUPAC2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cnc(CC#N)c(Cl)c1C(F)F
InChIInChI=1S/C9H7ClF2N2O/c1-15-6-4-14-5(2-3-13)8(10)7(6)9(11)12/h4,9H,2H2,1H3
InChIKeyGDNUFMXMOOYDDK-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.75
Rot. Bonds3

About 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile

2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile (PubChem CID 134674914) has the molecular formula C9H7ClF2N2O and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
PubChem CID134674914
Molecular FormulaC9H7ClF2N2O
Molecular Weight232.62 g/mol
Exact Mass232.02
IUPAC Name2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cnc(CC#N)c(Cl)c1C(F)F
InChIInChI=1S/C9H7ClF2N2O/c1-15-6-4-14-5(2-3-13)8(10)7(6)9(11)12/h4,9H,2H2,1H3
InChIKeyGDNUFMXMOOYDDK-UHFFFAOYSA-N
XLogP2.75
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
CID 118823951
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
2-[3-chloro-4-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075523
2-[3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665144

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile (CID 134674914) is 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile is COc1cnc(CC#N)c(Cl)c1C(F)F.
What is the InChIKey of 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is GDNUFMXMOOYDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O/c1-15-6-4-14-5(2-3-13)8(10)7(6)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 232.62 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134674914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).