2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide

C9H11ClN2O2 — CID 60747484

IUPAC2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
SMILESCC(CO)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c1-6(5-13)12-9(14)7-2-3-11-8(10)4-7/h2-4,6,13H,5H2,1H3,(H,12,14)
InChIKeyUBDCPQRYOQQBMJ-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.85
Rot. Bonds3

About 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide

2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide (PubChem CID 60747484) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
PubChem CID60747484
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
SMILESCC(CO)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c1-6(5-13)12-9(14)7-2-3-11-8(10)4-7/h2-4,6,13H,5H2,1H3,(H,12,14)
InChIKeyUBDCPQRYOQQBMJ-UHFFFAOYSA-N
XLogP0.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
CID 130550792
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide
CID 95204797
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide (CID 60747484) is 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide is CC(CO)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide?
The InChIKey is UBDCPQRYOQQBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(5-13)12-9(14)7-2-3-11-8(10)4-7/h2-4,6,13H,5H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide?
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60747484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).