2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid

C19H14Cl2IN3O3 — CID 158279059

IUPAC2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccnc(Cl)c2)cc1I.O=C(O)c1ccnc(Cl)c1
InChIInChI=1S/C13H10ClIN2O.C6H4ClNO2/c1-8-2-3-10(7-11(8)15)17-13(18)9-4-5-16-12(14)6-9;7-5-3-4(6(9)10)1-2-8-5/h2-7H,1H3,(H,17,18);1-3H,(H,9,10)
InChIKeyGJZDYWNXGBNDFE-UHFFFAOYSA-N
MW530.15 g/mol
LogP5.33
Rot. Bonds3

About 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid

2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid (PubChem CID 158279059) has the molecular formula C19H14Cl2IN3O3 and a molecular weight of 530.15 g/mol. Its IUPAC name is 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid
PubChem CID158279059
Molecular FormulaC19H14Cl2IN3O3
Molecular Weight530.15 g/mol
Exact Mass528.95
IUPAC Name2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccnc(Cl)c2)cc1I.O=C(O)c1ccnc(Cl)c1
InChIInChI=1S/C13H10ClIN2O.C6H4ClNO2/c1-8-2-3-10(7-11(8)15)17-13(18)9-4-5-16-12(14)6-9;7-5-3-4(6(9)10)1-2-8-5/h2-7H,1H3,(H,17,18);1-3H,(H,9,10)
InChIKeyGJZDYWNXGBNDFE-UHFFFAOYSA-N
XLogP5.33
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.15
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
CID 26781715
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
2-chloro-N-(4-iodo-3-pyridinyl)pyridine-4-carboxamide
CID 118063649
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid (CID 158279059) is 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid is Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1I.O=C(O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid?
The InChIKey is GJZDYWNXGBNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O.C6H4ClNO2/c1-8-2-3-10(7-11(8)15)17-13(18)9-4-5-16-12(14)6-9;7-5-3-4(6(9)10)1-2-8-5/h2-7H,1H3,(H,17,18);1-3H,(H,9,10).
What are the key properties of 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid?
2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid has a molecular weight of 530.15 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 158279059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).