2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid

C13H10ClF3N4O3 — CID 90817511

IUPAC2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1nn(C)c(C(=O)Nc2cnc(Cl)c(C(=O)O)c2)c1C(F)(F)F
InChIInChI=1S/C13H10ClF3N4O3/c1-5-8(13(15,16)17)9(21(2)20-5)11(22)19-6-3-7(12(23)24)10(14)18-4-6/h3-4H,1-2H3,(H,19,22)(H,23,24)
InChIKeyHNOZVURASQPDKP-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid

2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 90817511) has the molecular formula C13H10ClF3N4O3 and a molecular weight of 362.70 g/mol. Its IUPAC name is 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID90817511
Molecular FormulaC13H10ClF3N4O3
Molecular Weight362.70 g/mol
Exact Mass362.04
IUPAC Name2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1nn(C)c(C(=O)Nc2cnc(Cl)c(C(=O)O)c2)c1C(F)(F)F
InChIInChI=1S/C13H10ClF3N4O3/c1-5-8(13(15,16)17)9(21(2)20-5)11(22)19-6-3-7(12(23)24)10(14)18-4-6/h3-4H,1-2H3,(H,19,22)(H,23,24)
InChIKeyHNOZVURASQPDKP-UHFFFAOYSA-N
XLogP2.75
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid (CID 90817511) is 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid is Cc1nn(C)c(C(=O)Nc2cnc(Cl)c(C(=O)O)c2)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HNOZVURASQPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O3/c1-5-8(13(15,16)17)9(21(2)20-5)11(22)19-6-3-7(12(23)24)10(14)18-4-6/h3-4H,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid?
2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 362.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90817511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).