5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide

C11H12BrClN2O — CID 103722174

IUPAC5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C11H12BrClN2O/c1-11(2-3-11)6-15-10(16)8-4-7(12)5-14-9(8)13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyAIIWWCICXSXPQV-UHFFFAOYSA-N
MW303.59 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 103722174) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID103722174
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C11H12BrClN2O/c1-11(2-3-11)6-15-10(16)8-4-7(12)5-14-9(8)13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyAIIWWCICXSXPQV-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 65118505
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
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CID 62001049
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
5-bromo-2-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 78991392
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
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4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide (CID 103722174) is 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide is CC1(CNC(=O)c2cc(Br)cnc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is AIIWWCICXSXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c1-11(2-3-11)6-15-10(16)8-4-7(12)5-14-9(8)13/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide has a molecular weight of 303.59 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103722174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).