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

C9H10F2N2O2 — CID 103770299

IUPACN-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccncc1
InChIInChI=1S/C9H10F2N2O2/c10-8(11)7(14)5-13-9(15)6-1-3-12-4-2-6/h1-4,7-8,14H,5H2,(H,13,15)
InChIKeyBIXABLIAWCXZAM-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.44
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 103770299) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
PubChem CID103770299
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccncc1
InChIInChI=1S/C9H10F2N2O2/c10-8(11)7(14)5-13-9(15)6-1-3-12-4-2-6/h1-4,7-8,14H,5H2,(H,13,15)
InChIKeyBIXABLIAWCXZAM-UHFFFAOYSA-N
XLogP0.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 104844460
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide
CID 103769854
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide (CID 103770299) is N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide is O=C(NCC(O)C(F)F)c1ccncc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is BIXABLIAWCXZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-8(11)7(14)5-13-9(15)6-1-3-12-4-2-6/h1-4,7-8,14H,5H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 216.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103770299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).