2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile

C9H8F2N2O2 — CID 118823951

IUPAC2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cnc(CC#N)c(O)c1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-6-4-13-5(2-3-12)8(14)7(6)9(10)11/h4,9,14H,2H2,1H3
InChIKeyRGFIBPADNDTCDQ-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile (PubChem CID 118823951) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
PubChem CID118823951
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cnc(CC#N)c(O)c1C(F)F
InChIInChI=1S/C9H8F2N2O2/c1-15-6-4-13-5(2-3-12)8(14)7(6)9(10)11/h4,9,14H,2H2,1H3
InChIKeyRGFIBPADNDTCDQ-UHFFFAOYSA-N
XLogP1.80
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile (CID 118823951) is 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile is COc1cnc(CC#N)c(O)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is RGFIBPADNDTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-6-4-13-5(2-3-12)8(14)7(6)9(10)11/h4,9,14H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 214.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118823951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).