5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide

C15H12BrClN2O — CID 62000422

IUPAC5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(Br)cnc1Cl
InChIInChI=1S/C15H12BrClN2O/c16-11-7-13(14(17)18-8-11)15(20)19-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3H2,(H,19,20)
InChIKeyCENFVYBSDWVFQF-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide (PubChem CID 62000422) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
PubChem CID62000422
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(Br)cnc1Cl
InChIInChI=1S/C15H12BrClN2O/c16-11-7-13(14(17)18-8-11)15(20)19-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3H2,(H,19,20)
InChIKeyCENFVYBSDWVFQF-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.24
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

2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide (CID 62000422) is 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
The InChIKey is CENFVYBSDWVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-11-7-13(14(17)18-8-11)15(20)19-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3H2,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide has a molecular weight of 351.63 g/mol, XLogP of 4.24, 2 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-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62000422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).