4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

C14H10Cl2N2O3 — CID 72947483

IUPAC4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)n1
InChIInChI=1S/C14H10Cl2N2O3/c1-7-3-2-4-12(17-7)18-13(19)8-5-10(15)11(16)6-9(8)14(20)21/h2-6H,1H3,(H,20,21)(H,17,18,19)
InChIKeyRGPYTJUGAIXXRM-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.65
Rot. Bonds3

About 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (PubChem CID 72947483) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
PubChem CID72947483
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)n1
InChIInChI=1S/C14H10Cl2N2O3/c1-7-3-2-4-12(17-7)18-13(19)8-5-10(15)11(16)6-9(8)14(20)21/h2-6H,1H3,(H,20,21)(H,17,18,19)
InChIKeyRGPYTJUGAIXXRM-UHFFFAOYSA-N
XLogP3.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The IUPAC name of 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (CID 72947483) is 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The canonical SMILES for 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)n1.
What is the InChIKey of 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The InChIKey is RGPYTJUGAIXXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-7-3-2-4-12(17-7)18-13(19)8-5-10(15)11(16)6-9(8)14(20)21/h2-6H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is sourced from PubChem (CID 72947483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).