2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid

C9H4ClF3N4O2 — CID 97057733

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C9H4ClF3N4O2/c10-5-1-4(9(11,12)13)2-14-7(5)17-15-3-6(16-17)8(18)19/h1-3H,(H,18,19)
InChIKeyLIMWTVHYVUHLEX-UHFFFAOYSA-N
MW292.60 g/mol
LogP2.03
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid (PubChem CID 97057733) has the molecular formula C9H4ClF3N4O2 and a molecular weight of 292.60 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid
PubChem CID97057733
Molecular FormulaC9H4ClF3N4O2
Molecular Weight292.60 g/mol
Exact Mass292.00
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C9H4ClF3N4O2/c10-5-1-4(9(11,12)13)2-14-7(5)17-15-3-6(16-17)8(18)19/h1-3H,(H,18,19)
InChIKeyLIMWTVHYVUHLEX-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 3928817
1-(3-chloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990496
1-(3-Chloropyridin-2-yl)-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CID 91262418
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990493
6-Chloro-8-(trifluoromethyl)imidazo(1,2-a)pyridine-2-carboxylic acid
CID 165598116
1-(3-Chloro-2-pyridinyl)-3-(difluoromethyl)pyrazole-4-carboxylic acid
CID 139238099
5-(chlorodifluoromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 50990495
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]triazole-4-carbaldehyde
CID 19778384
1-[4,6-Bis(trifluoromethyl)pyridin-2-yl]triazole-4-carboxylic acid
CID 21290349
1-[4-(Trifluoromethyl)pyridin-2-yl]triazole-4-carboxylic acid
CID 21290358
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methylpyrazole-4-carboxylic acid
CID 22014756
1-(3,5-dichloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990494

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid (CID 97057733) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid is O=C(O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid?
The InChIKey is LIMWTVHYVUHLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N4O2/c10-5-1-4(9(11,12)13)2-14-7(5)17-15-3-6(16-17)8(18)19/h1-3H,(H,18,19).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid has a molecular weight of 292.60 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxylic acid is sourced from PubChem (CID 97057733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).