2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide

C9H11ClN2O2 — CID 53409120

IUPAC2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCCCO)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c10-8-7(3-1-4-11-8)9(14)12-5-2-6-13/h1,3-4,13H,2,5-6H2,(H,12,14)
InChIKeyZOLCZCIDLRCTIX-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.85
Rot. Bonds4

About 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide

2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 53409120) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID53409120
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCCCO)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c10-8-7(3-1-4-11-8)9(14)12-5-2-6-13/h1,3-4,13H,2,5-6H2,(H,12,14)
InChIKeyZOLCZCIDLRCTIX-UHFFFAOYSA-N
XLogP0.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 26635822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 53409120) is 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide is O=C(NCCCO)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is ZOLCZCIDLRCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-7(3-1-4-11-8)9(14)12-5-2-6-13/h1,3-4,13H,2,5-6H2,(H,12,14).
What are the key properties of 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide?
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 53409120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).