3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid

C12H7Cl3N2O2 — CID 133086569

IUPAC3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3N2O2/c13-7-4-9(15)8(14)3-6(7)11-10(16)5(12(18)19)1-2-17-11/h1-4H,16H2,(H,18,19)
InChIKeyYIIAWNOKLZRMPN-UHFFFAOYSA-N
MW317.56 g/mol
LogP3.99
Rot. Bonds2

About 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid

3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 133086569) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
PubChem CID133086569
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3N2O2/c13-7-4-9(15)8(14)3-6(7)11-10(16)5(12(18)19)1-2-17-11/h1-4H,16H2,(H,18,19)
InChIKeyYIIAWNOKLZRMPN-UHFFFAOYSA-N
XLogP3.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 53.99
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

2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate
CID 133087227
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
3-amino-2-methylpyridine-4-carboxylic acid
CID 14447106
5-chloro-6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134629884
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
CID 133087953
3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 134625710
3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312
2,3-diamino-4-chlorobenzoic acid
CID 10655174

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid (CID 133086569) is 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid is Nc1c(C(=O)O)ccnc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is YIIAWNOKLZRMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-7-4-9(15)8(14)3-6(7)11-10(16)5(12(18)19)1-2-17-11/h1-4H,16H2,(H,18,19).
What are the key properties of 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid has a molecular weight of 317.56 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133086569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).