5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

C10H12BrClN2O2 — CID 103919732

IUPAC5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2/c1-2-7(5-15)14-10(16)8-3-6(11)4-13-9(8)12/h3-4,7,15H,2,5H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyVNVFFJFNUDHQPH-SSDOTTSWSA-N
MW307.58 g/mol
LogP2.00
Rot. Bonds4

About 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (PubChem CID 103919732) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
PubChem CID103919732
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2/c1-2-7(5-15)14-10(16)8-3-6(11)4-13-9(8)12/h3-4,7,15H,2,5H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyVNVFFJFNUDHQPH-SSDOTTSWSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.00
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)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
(2S,3R)-2-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037234
5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62000473
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 62000639
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide (CID 103919732) is 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is CC[C@H](CO)NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
The InChIKey is VNVFFJFNUDHQPH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-2-7(5-15)14-10(16)8-3-6(11)4-13-9(8)12/h3-4,7,15H,2,5H2,1H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide has a molecular weight of 307.58 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 103919732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).