2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide

C10H12F2N2O3 — CID 166385426

IUPAC2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cccnc1OC(F)F
InChIInChI=1S/C10H12F2N2O3/c1-6(15)5-14-8(16)7-3-2-4-13-9(7)17-10(11)12/h2-4,6,10,15H,5H2,1H3,(H,14,16)
InChIKeyFPIKZUHMTBQUFU-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.79
Rot. Bonds5

About 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide

2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 166385426) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID166385426
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cccnc1OC(F)F
InChIInChI=1S/C10H12F2N2O3/c1-6(15)5-14-8(16)7-3-2-4-13-9(7)17-10(11)12/h2-4,6,10,15H,5H2,1H3,(H,14,16)
InChIKeyFPIKZUHMTBQUFU-UHFFFAOYSA-N
XLogP0.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
2-methoxy-N-[(2S)-2-sulfamoylpropyl]pyridine-3-carboxamide
CID 97253087
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 166385426) is 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide is CC(O)CNC(=O)c1cccnc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is FPIKZUHMTBQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-6(15)5-14-8(16)7-3-2-4-13-9(7)17-10(11)12/h2-4,6,10,15H,5H2,1H3,(H,14,16).
What are the key properties of 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide?
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 246.21 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 166385426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).