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

C9H7ClF2N2O — CID 134684682

IUPAC2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
SMILESCOc1cnc(C(F)F)c(Cl)c1CC#N
InChIInChI=1S/C9H7ClF2N2O/c1-15-6-4-14-8(9(11)12)7(10)5(6)2-3-13/h4,9H,2H2,1H3
InChIKeyNPAXZQIHGPQRMR-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.75
Rot. Bonds3

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

2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile (PubChem CID 134684682) has the molecular formula C9H7ClF2N2O and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
PubChem CID134684682
Molecular FormulaC9H7ClF2N2O
Molecular Weight232.62 g/mol
Exact Mass232.02
IUPAC Name2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
SMILESCOc1cnc(C(F)F)c(Cl)c1CC#N
InChIInChI=1S/C9H7ClF2N2O/c1-15-6-4-14-8(9(11)12)7(10)5(6)2-3-13/h4,9H,2H2,1H3
InChIKeyNPAXZQIHGPQRMR-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-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
CID 130072557
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetonitrile
CID 118843223
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-[5-(chloromethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130091416
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830
2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130106062
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile (CID 134684682) is 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile is COc1cnc(C(F)F)c(Cl)c1CC#N.
What is the InChIKey of 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile?
The InChIKey is NPAXZQIHGPQRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O/c1-15-6-4-14-8(9(11)12)7(10)5(6)2-3-13/h4,9H,2H2,1H3.
What are the key properties of 2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile?
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-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-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134684682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).