2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide

C10H13ClN2O2 — CID 86323911

IUPAC2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
SMILESC[C@@H](O)CCNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7(14)4-6-13-10(15)8-3-2-5-12-9(8)11/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyXYJJMZFWGBIEBJ-SSDOTTSWSA-N
MW228.68 g/mol
LogP1.24
Rot. Bonds4

About 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide

2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide (PubChem CID 86323911) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
PubChem CID86323911
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
SMILESC[C@@H](O)CCNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-7(14)4-6-13-10(15)8-3-2-5-12-9(8)11/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyXYJJMZFWGBIEBJ-SSDOTTSWSA-N
XLogP1.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.24
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

2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide (CID 86323911) is 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide is C[C@@H](O)CCNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide?
The InChIKey is XYJJMZFWGBIEBJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7(14)4-6-13-10(15)8-3-2-5-12-9(8)11/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide?
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide is sourced from PubChem (CID 86323911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).