N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide

C9H10F2N2O3 — CID 105381320

IUPACN-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NC(CO)CO)c1ccnc(F)c1F
InChIInChI=1S/C9H10F2N2O3/c10-7-6(1-2-12-8(7)11)9(16)13-5(3-14)4-15/h1-2,5,14-15H,3-4H2,(H,13,16)
InChIKeyMHOTXKMZCADBAK-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.56
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide

N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381320) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381320
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NC(CO)CO)c1ccnc(F)c1F
InChIInChI=1S/C9H10F2N2O3/c10-7-6(1-2-12-8(7)11)9(16)13-5(3-14)4-15/h1-2,5,14-15H,3-4H2,(H,13,16)
InChIKeyMHOTXKMZCADBAK-UHFFFAOYSA-N
XLogP-0.56
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
(2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]hexanoic acid
CID 114037268
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide (CID 105381320) is N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide is O=C(NC(CO)CO)c1ccnc(F)c1F.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is MHOTXKMZCADBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-7-6(1-2-12-8(7)11)9(16)13-5(3-14)4-15/h1-2,5,14-15H,3-4H2,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 232.19 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).