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

C8H6F2N2O2 — CID 130076452

IUPAC4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(O)c(C(F)F)c1C#N
InChIInChI=1S/C8H6F2N2O2/c1-14-8-4(2-11)6(7(9)10)5(13)3-12-8/h3,7,13H,1H3
InChIKeyGUSHSNZRQFEUFW-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.61
Rot. Bonds2

About 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile

4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile (PubChem CID 130076452) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
PubChem CID130076452
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(O)c(C(F)F)c1C#N
InChIInChI=1S/C8H6F2N2O2/c1-14-8-4(2-11)6(7(9)10)5(13)3-12-8/h3,7,13H,1H3
InChIKeyGUSHSNZRQFEUFW-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

methyl 3-cyano-4-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 130076940
4-(difluoromethyl)-5-iodo-6-methoxypyridin-3-ol
CID 118824019
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde
CID 130083465
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077991
2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
CID 133105690
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile (CID 130076452) is 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile is COc1ncc(O)c(C(F)F)c1C#N.
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile?
The InChIKey is GUSHSNZRQFEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-8-4(2-11)6(7(9)10)5(13)3-12-8/h3,7,13H,1H3.
What are the key properties of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile?
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-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 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130076452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).