N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide

C9H10F2N2O3 — CID 104864896

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccncc1O
InChIInChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-12-3-7(6)15/h1-3,14-15H,4-5H2,(H,13,16)
InChIKeyBVSPMGMIONBWCU-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.14
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 104864896) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide
PubChem CID104864896
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccncc1O
InChIInChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-12-3-7(6)15/h1-3,14-15H,4-5H2,(H,13,16)
InChIKeyBVSPMGMIONBWCU-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 113257057
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide (CID 104864896) is N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide is O=C(NCC(F)(F)CO)c1ccncc1O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is BVSPMGMIONBWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-12-3-7(6)15/h1-3,14-15H,4-5H2,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 232.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 104864896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).