6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C15H8F6N2O3 — CID 146569016

IUPAC6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H8F6N2O3/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-12(24)10-2-1-3-11(23-10)13(25)26/h1-6H,(H,22,24)(H,25,26)
InChIKeyUBBDDANPBWVPQN-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.07
Rot. Bonds3

About 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 146569016) has the molecular formula C15H8F6N2O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID146569016
Molecular FormulaC15H8F6N2O3
Molecular Weight378.23 g/mol
Exact Mass378.04
IUPAC Name6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H8F6N2O3/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-12(24)10-2-1-3-11(23-10)13(25)26/h1-6H,(H,22,24)(H,25,26)
InChIKeyUBBDDANPBWVPQN-UHFFFAOYSA-N
XLogP4.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 146569016) is 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UBBDDANPBWVPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O3/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-12(24)10-2-1-3-11(23-10)13(25)26/h1-6H,(H,22,24)(H,25,26).
What are the key properties of 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 378.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146569016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).