5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide

C11H8BrClN4O — CID 114089631

IUPAC5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C11H8BrClN4O/c12-10-8(2-1-3-15-10)17-11(18)6-4-9(13)16-5-7(6)14/h1-5H,14H2,(H,17,18)
InChIKeyAOMAOUQYLDHCOE-UHFFFAOYSA-N
MW327.57 g/mol
LogP2.73
Rot. Bonds2

About 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide

5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide (PubChem CID 114089631) has the molecular formula C11H8BrClN4O and a molecular weight of 327.57 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
PubChem CID114089631
Molecular FormulaC11H8BrClN4O
Molecular Weight327.57 g/mol
Exact Mass325.96
IUPAC Name5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C11H8BrClN4O/c12-10-8(2-1-3-15-10)17-11(18)6-4-9(13)16-5-7(6)14/h1-5H,14H2,(H,17,18)
InChIKeyAOMAOUQYLDHCOE-UHFFFAOYSA-N
XLogP2.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
CID 114051406
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257
N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide (CID 114089631) is 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide is Nc1cnc(Cl)cc1C(=O)Nc1cccnc1Br.
What is the InChIKey of 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide?
The InChIKey is AOMAOUQYLDHCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O/c12-10-8(2-1-3-15-10)17-11(18)6-4-9(13)16-5-7(6)14/h1-5H,14H2,(H,17,18).
What are the key properties of 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide?
5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide has a molecular weight of 327.57 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 114089631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).