4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

C14H9F3N2O3 — CID 707324

IUPAC4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyQZEHURLOFLEITK-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.05
Rot. Bonds3

About 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 707324) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID707324
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyQZEHURLOFLEITK-UHFFFAOYSA-N
XLogP3.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4488
Diflufenzopyr
CID 6125184
Flunixin
CID 38081
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CID 71767874
2-[(Cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 44631844
3-(4-Phenylbutanoylamino)pyridine-4-carboxylic acid
CID 64394751
3-[(4-Fluorobenzyl)amino]pyridine-4-carboxylic acid
CID 81750967
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
CID 935607
3-Carboxy-1-(1-phenyl-vinyl)-pyridinium
CID 15446350
2-[[2-(Trifluoromethyl)-4-pyridinyl]amino]benzoic acid
CID 1484876
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
2-Carbamoylpyridine-3-carboxylic acid
CID 258810

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (CID 707324) is 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is QZEHURLOFLEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(21)22/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 310.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 707324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).