5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile

C7H3ClF2N2O — CID 130070948

IUPAC5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H3ClF2N2O/c8-4-1-3(2-11)5(6(9)10)12-7(4)13/h1,6H,(H,12,13)
InChIKeyBNLAKMLNIQPNEQ-UHFFFAOYSA-N
MW204.56 g/mol
LogP1.84
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile

5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130070948) has the molecular formula C7H3ClF2N2O and a molecular weight of 204.56 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID130070948
Molecular FormulaC7H3ClF2N2O
Molecular Weight204.56 g/mol
Exact Mass203.99
IUPAC Name5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(Cl)c(=O)[nH]c1C(F)F
InChIInChI=1S/C7H3ClF2N2O/c8-4-1-3(2-11)5(6(9)10)12-7(4)13/h1,6H,(H,12,13)
InChIKeyBNLAKMLNIQPNEQ-UHFFFAOYSA-N
XLogP1.84
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.56
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 130076426
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118811331
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 14211659
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076657
5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130076809
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile (CID 130070948) is 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(Cl)c(=O)[nH]c1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BNLAKMLNIQPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O/c8-4-1-3(2-11)5(6(9)10)12-7(4)13/h1,6H,(H,12,13).
What are the key properties of 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile?
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 204.56 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130070948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).