3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid

C12H5Cl4NO2 — CID 134637312

IUPAC3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2/c13-6-1-2-7(14)10(16)8(6)11-9(15)5(12(18)19)3-4-17-11/h1-4H,(H,18,19)
InChIKeyDIPQVLBRMRWZOC-UHFFFAOYSA-N
MW336.99 g/mol
LogP5.06
Rot. Bonds2

About 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid

3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 134637312) has the molecular formula C12H5Cl4NO2 and a molecular weight of 336.99 g/mol. Its IUPAC name is 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
PubChem CID134637312
Molecular FormulaC12H5Cl4NO2
Molecular Weight336.99 g/mol
Exact Mass334.91
IUPAC Name3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2/c13-6-1-2-7(14)10(16)8(6)11-9(15)5(12(18)19)3-4-17-11/h1-4H,(H,18,19)
InChIKeyDIPQVLBRMRWZOC-UHFFFAOYSA-N
XLogP5.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.99
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
CID 133087953
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637597
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
sodium;hydride;2,3,4-trichlorobenzoic acid
CID 174433618
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid (CID 134637312) is 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is DIPQVLBRMRWZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO2/c13-6-1-2-7(14)10(16)8(6)11-9(15)5(12(18)19)3-4-17-11/h1-4H,(H,18,19).
What are the key properties of 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid?
3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid has a molecular weight of 336.99 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 134637312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).