1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid

C12H10Cl2N2O2 — CID 54429559

IUPAC1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CN(Nc2ccc(Cl)c(Cl)c2)CC=C1
InChIInChI=1S/C12H10Cl2N2O2/c13-10-4-3-9(6-11(10)14)15-16-5-1-2-8(7-16)12(17)18/h1-4,6-7,15H,5H2,(H,17,18)
InChIKeyWGNDHIPXEFGUFT-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.16
Rot. Bonds3

About 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid

1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid (PubChem CID 54429559) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid
PubChem CID54429559
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CN(Nc2ccc(Cl)c(Cl)c2)CC=C1
InChIInChI=1S/C12H10Cl2N2O2/c13-10-4-3-9(6-11(10)14)15-16-5-1-2-8(7-16)12(17)18/h1-4,6-7,15H,5H2,(H,17,18)
InChIKeyWGNDHIPXEFGUFT-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid (CID 54429559) is 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid is O=C(O)C1=CN(Nc2ccc(Cl)c(Cl)c2)CC=C1.
What is the InChIKey of 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid?
The InChIKey is WGNDHIPXEFGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c13-10-4-3-9(6-11(10)14)15-16-5-1-2-8(7-16)12(17)18/h1-4,6-7,15H,5H2,(H,17,18).
What are the key properties of 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid?
1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid has a molecular weight of 285.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloroanilino)-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 54429559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).