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

C12H9ClIN3O — CID 107631403

IUPAC6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1
InChIInChI=1S/C12H9ClIN3O/c13-7-4-5-9(8(14)6-7)17-12(18)10-2-1-3-11(15)16-10/h1-6H,(H2,15,16)(H,17,18)
InChIKeyITNGBYUYKXRSMN-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.17
Rot. Bonds2

About 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide

6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide (PubChem CID 107631403) has the molecular formula C12H9ClIN3O and a molecular weight of 373.58 g/mol. Its IUPAC name is 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
PubChem CID107631403
Molecular FormulaC12H9ClIN3O
Molecular Weight373.58 g/mol
Exact Mass372.95
IUPAC Name6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1
InChIInChI=1S/C12H9ClIN3O/c13-7-4-5-9(8(14)6-7)17-12(18)10-2-1-3-11(15)16-10/h1-6H,(H2,15,16)(H,17,18)
InChIKeyITNGBYUYKXRSMN-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

6-amino-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 62239804
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 62239457
N-(4-chloro-2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 107631451
6-amino-N-(5-bromo-2-fluorophenyl)pyridine-2-carboxamide
CID 62239299
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
6-amino-N-(2-bromo-3-chlorophenyl)pyridine-2-carboxamide
CID 103481383
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide (CID 107631403) is 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide is Nc1cccc(C(=O)Nc2ccc(Cl)cc2I)n1.
What is the InChIKey of 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
The InChIKey is ITNGBYUYKXRSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3O/c13-7-4-5-9(8(14)6-7)17-12(18)10-2-1-3-11(15)16-10/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide?
6-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 6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107631403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).