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

C8H6F2N2O2 — CID 119021849

IUPAC4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(O)c1C(F)F
InChIInChI=1S/C8H6F2N2O2/c1-14-7-4(2-11)12-3-5(13)6(7)8(9)10/h3,8,13H,1H3
InChIKeyXOIJQDVYRNWXFU-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.61
Rot. Bonds2

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

4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile (PubChem CID 119021849) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
PubChem CID119021849
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(O)c1C(F)F
InChIInChI=1S/C8H6F2N2O2/c1-14-7-4(2-11)12-3-5(13)6(7)8(9)10/h3,8,13H,1H3
InChIKeyXOIJQDVYRNWXFU-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

6-cyano-4-(difluoromethyl)-5-methoxypyridine-3-sulfonamide
CID 119012646
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
CID 130076452
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 134672356
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol
CID 119013301
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile (CID 119021849) is 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile is COc1c(C#N)ncc(O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile?
The InChIKey is XOIJQDVYRNWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-7-4(2-11)12-3-5(13)6(7)8(9)10/h3,8,13H,1H3.
What are the key properties of 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile?
4-(difluoromethyl)-5-hydroxy-3-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 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 119021849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).