5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid

C12H6ClF3N2O2 — CID 114919577

IUPAC5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2cc(F)c(F)cc2F)ncc1Cl
InChIInChI=1S/C12H6ClF3N2O2/c13-6-4-17-11(1-5(6)12(19)20)18-10-3-8(15)7(14)2-9(10)16/h1-4H,(H,17,18)(H,19,20)
InChIKeyYUBFKYIDCXUASX-UHFFFAOYSA-N
MW302.64 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid

5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid (PubChem CID 114919577) has the molecular formula C12H6ClF3N2O2 and a molecular weight of 302.64 g/mol. Its IUPAC name is 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
PubChem CID114919577
Molecular FormulaC12H6ClF3N2O2
Molecular Weight302.64 g/mol
Exact Mass302.01
IUPAC Name5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2cc(F)c(F)cc2F)ncc1Cl
InChIInChI=1S/C12H6ClF3N2O2/c13-6-4-17-11(1-5(6)12(19)20)18-10-3-8(15)7(14)2-9(10)16/h1-4H,(H,17,18)(H,19,20)
InChIKeyYUBFKYIDCXUASX-UHFFFAOYSA-N
XLogP3.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 53.59
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

5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919129
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid
CID 114919407
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335
5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid
CID 114919958
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carboxylic acid
CID 114919156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid (CID 114919577) is 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid is O=C(O)c1cc(Nc2cc(F)c(F)cc2F)ncc1Cl.
What is the InChIKey of 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is YUBFKYIDCXUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O2/c13-6-4-17-11(1-5(6)12(19)20)18-10-3-8(15)7(14)2-9(10)16/h1-4H,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid?
5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid has a molecular weight of 302.64 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).