3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid

C12H7Cl3N2O2 — CID 134636979

IUPAC3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc(Cl)cc(Cl)c2Cl)nc1C(=O)O
InChIInChI=1S/C12H7Cl3N2O2/c13-5-3-6(10(15)7(14)4-5)9-2-1-8(16)11(17-9)12(18)19/h1-4H,16H2,(H,18,19)
InChIKeyGFGJBYXZFNHNTL-UHFFFAOYSA-N
MW317.56 g/mol
LogP3.99
Rot. Bonds2

About 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid

3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 134636979) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID134636979
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc(Cl)cc(Cl)c2Cl)nc1C(=O)O
InChIInChI=1S/C12H7Cl3N2O2/c13-5-3-6(10(15)7(14)4-5)9-2-1-8(16)11(17-9)12(18)19/h1-4H,16H2,(H,18,19)
InChIKeyGFGJBYXZFNHNTL-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

3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134624256
6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134637342
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134637996
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
5-(2-amino-5-chlorobenzoyl)-2H-triazole-4-carboxylic acid
CID 152704973

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid (CID 134636979) is 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid is Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is GFGJBYXZFNHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-5-3-6(10(15)7(14)4-5)9-2-1-8(16)11(17-9)12(18)19/h1-4H,16H2,(H,18,19).
What are the key properties of 3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-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-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134636979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).