6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H7Cl3N2O3 — CID 43453105

IUPAC6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc1
InChIInChI=1S/C13H7Cl3N2O3/c14-7-3-8(15)11(9(16)4-7)18-12(19)10-2-1-6(5-17-10)13(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeySHZJZEHPWZMEQZ-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds3

About 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43453105) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43453105
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc1
InChIInChI=1S/C13H7Cl3N2O3/c14-7-3-8(15)11(9(16)4-7)18-12(19)10-2-1-6(5-17-10)13(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeySHZJZEHPWZMEQZ-UHFFFAOYSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82803080
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118830549

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 43453105) is 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc1.
What is the InChIKey of 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is SHZJZEHPWZMEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-7-3-8(15)11(9(16)4-7)18-12(19)10-2-1-6(5-17-10)13(20)21/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 345.57 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43453105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).