N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide

C10H12F2N2O2 — CID 104857933

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H12F2N2O2/c1-7-3-2-4-13-8(7)9(16)14-5-10(11,12)6-15/h2-4,15H,5-6H2,1H3,(H,14,16)
InChIKeyPGJLSQGGBAFBMD-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.75
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide (PubChem CID 104857933) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
PubChem CID104857933
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H12F2N2O2/c1-7-3-2-4-13-8(7)9(16)14-5-10(11,12)6-15/h2-4,15H,5-6H2,1H3,(H,14,16)
InChIKeyPGJLSQGGBAFBMD-UHFFFAOYSA-N
XLogP0.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
N-(2,2-difluoro-3-hydroxypropyl)-2-pyridin-2-ylacetamide
CID 106168483
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
CID 62341325
N-(2,2-difluoro-3-hydroxypropyl)-3-methylfuran-2-carboxamide
CID 104858004
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide (CID 104857933) is N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide?
The InChIKey is PGJLSQGGBAFBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-7-3-2-4-13-8(7)9(16)14-5-10(11,12)6-15/h2-4,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide has a molecular weight of 230.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 104857933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).