5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

C7H3ClF2N2O — CID 130070958

IUPAC5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Cl)c(C(F)F)c1O
InChIInChI=1S/C7H3ClF2N2O/c8-3-2-12-4(1-11)6(13)5(3)7(9)10/h2,7,13H
InChIKeyKGWOFBPLKMSNDB-UHFFFAOYSA-N
MW204.56 g/mol
LogP2.25
Rot. Bonds1

About 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (PubChem CID 130070958) has the molecular formula C7H3ClF2N2O and a molecular weight of 204.56 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
PubChem CID130070958
Molecular FormulaC7H3ClF2N2O
Molecular Weight204.56 g/mol
Exact Mass203.99
IUPAC Name5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Cl)c(C(F)F)c1O
InChIInChI=1S/C7H3ClF2N2O/c8-3-2-12-4(1-11)6(13)5(3)7(9)10/h2,7,13H
InChIKeyKGWOFBPLKMSNDB-UHFFFAOYSA-N
XLogP2.25
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071413
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130099195
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (CID 130070958) is 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is N#Cc1ncc(Cl)c(C(F)F)c1O.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The InChIKey is KGWOFBPLKMSNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O/c8-3-2-12-4(1-11)6(13)5(3)7(9)10/h2,7,13H.
What are the key properties of 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile has a molecular weight of 204.56 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 130070958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).