6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide

C10H13ClN2O2 — CID 62239936

IUPAC6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-2-7(6-14)12-10(15)8-4-3-5-9(11)13-8/h3-5,7,14H,2,6H2,1H3,(H,12,15)
InChIKeyZDRMPRCPDNYNCR-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.24
Rot. Bonds4

About 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide

6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide (PubChem CID 62239936) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
PubChem CID62239936
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-2-7(6-14)12-10(15)8-4-3-5-9(11)13-8/h3-5,7,14H,2,6H2,1H3,(H,12,15)
InChIKeyZDRMPRCPDNYNCR-UHFFFAOYSA-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

6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 115902016
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
6-chloro-N-[(3R)-4-oxohexan-3-yl]pyridine-2-carboxamide
CID 129388932
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide (CID 62239936) is 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide is CCC(CO)NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide?
The InChIKey is ZDRMPRCPDNYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-7(6-14)12-10(15)8-4-3-5-9(11)13-8/h3-5,7,14H,2,6H2,1H3,(H,12,15).
What are the key properties of 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide?
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-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 6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62239936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).