5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

C10H12Cl2N2O2 — CID 93040790

IUPAC5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-2-7(5-15)14-10(16)6-3-8(11)9(12)13-4-6/h3-4,7,15H,2,5H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyAWWVUMYFVZRQOM-SSDOTTSWSA-N
MW263.12 g/mol
LogP1.89
Rot. Bonds4

About 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (PubChem CID 93040790) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
PubChem CID93040790
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-2-7(5-15)14-10(16)6-3-8(11)9(12)13-4-6/h3-4,7,15H,2,5H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyAWWVUMYFVZRQOM-SSDOTTSWSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.89
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

5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
5-chloro-6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247358
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 93041499
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
5-chloro-6-(ethylamino)-N-hexan-3-ylpyridine-3-carboxamide
CID 62179174
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101
6-amino-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 124514500
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (CID 93040790) is 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is CC[C@H](CO)NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The InChIKey is AWWVUMYFVZRQOM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-2-7(5-15)14-10(16)6-3-8(11)9(12)13-4-6/h3-4,7,15H,2,5H2,1H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide has a molecular weight of 263.12 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 93040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).