N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide

C13H10BrClN2O — CID 24903437

IUPACN-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cccc(Cl)n1
InChIInChI=1S/C13H10BrClN2O/c14-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(15)17-11/h1-7H,8H2,(H,16,18)
InChIKeyYOOGWIUAUYKXNE-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.43
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide

N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide (PubChem CID 24903437) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
PubChem CID24903437
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cccc(Cl)n1
InChIInChI=1S/C13H10BrClN2O/c14-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(15)17-11/h1-7H,8H2,(H,16,18)
InChIKeyYOOGWIUAUYKXNE-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.43
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

6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
CID 113436329
6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 24903452
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-(4-bromo-2-chlorophenyl)-6-chloropyridine-2-carboxamide
CID 62234892
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide (CID 24903437) is N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide is O=C(NCc1cccc(Br)c1)c1cccc(Cl)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide?
The InChIKey is YOOGWIUAUYKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(15)17-11/h1-7H,8H2,(H,16,18).
What are the key properties of N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide?
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide has a molecular weight of 325.59 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 24903437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).