3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide

C12H9ClIN3O — CID 107625379

IUPAC3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H9ClIN3O/c13-7-3-4-10(8(14)6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)
InChIKeyVXUSOAYINBONRQ-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.17
Rot. Bonds2

About 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide

3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide (PubChem CID 107625379) has the molecular formula C12H9ClIN3O and a molecular weight of 373.58 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
PubChem CID107625379
Molecular FormulaC12H9ClIN3O
Molecular Weight373.58 g/mol
Exact Mass372.95
IUPAC Name3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H9ClIN3O/c13-7-3-4-10(8(14)6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)
InChIKeyVXUSOAYINBONRQ-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107631403
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide (CID 107625379) is 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
The InChIKey is VXUSOAYINBONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3O/c13-7-3-4-10(8(14)6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18).
What are the key properties of 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide has a molecular weight of 373.58 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107625379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).