3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile

C8H6F2N2O2 — CID 119008793

IUPAC3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(C(F)F)cc1O
InChIInChI=1S/C8H6F2N2O2/c1-14-8-6(13)2-4(7(9)10)5(3-11)12-8/h2,7,13H,1H3
InChIKeyUHSNRYLDOOBQIB-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.61
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile

3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile (PubChem CID 119008793) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
PubChem CID119008793
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(C(F)F)cc1O
InChIInChI=1S/C8H6F2N2O2/c1-14-8-6(13)2-4(7(9)10)5(3-11)12-8/h2,7,13H,1H3
InChIKeyUHSNRYLDOOBQIB-UHFFFAOYSA-N
XLogP1.61
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
6-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370
6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118996006
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
CID 118995379

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile (CID 119008793) is 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile is COc1nc(C#N)c(C(F)F)cc1O.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile?
The InChIKey is UHSNRYLDOOBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-8-6(13)2-4(7(9)10)5(3-11)12-8/h2,7,13H,1H3.
What are the key properties of 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile?
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile has a molecular weight of 200.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 119008793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).