4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid

C12H7Cl3N2O2 — CID 43326079

IUPAC4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)ccn1
InChIInChI=1S/C12H7Cl3N2O2/c13-7-4-9(15)10(5-8(7)14)17-6-1-2-16-11(3-6)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyQRPGUYWBRPRJSE-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.48
Rot. Bonds3

About 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid

4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid (PubChem CID 43326079) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
PubChem CID43326079
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)ccn1
InChIInChI=1S/C12H7Cl3N2O2/c13-7-4-9(15)10(5-8(7)14)17-6-1-2-16-11(3-6)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyQRPGUYWBRPRJSE-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528832
4-(2,4,5-trichloroanilino)pyridine-2-carbothioamide
CID 63519381
4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
4-(3-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43326161
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
CID 103586357
4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
CID 43326134
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
CID 158111701
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid (CID 43326079) is 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid is O=C(O)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)ccn1.
What is the InChIKey of 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid?
The InChIKey is QRPGUYWBRPRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-7-4-9(15)10(5-8(7)14)17-6-1-2-16-11(3-6)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid?
4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid has a molecular weight of 317.56 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43326079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).