2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid

C17H11F3N2O2 — CID 56636800

IUPAC2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccncc2c(-c2ccccc2C(F)(F)F)c1C(=O)O
InChIInChI=1S/C17H11F3N2O2/c1-9-14(16(23)24)15(11-8-21-7-6-13(11)22-9)10-4-2-3-5-12(10)17(18,19)20/h2-8H,1H3,(H,23,24)
InChIKeyCDNOCDMNCKWRBA-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.32
Rot. Bonds2

About 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid

2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid (PubChem CID 56636800) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid
PubChem CID56636800
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccncc2c(-c2ccccc2C(F)(F)F)c1C(=O)O
InChIInChI=1S/C17H11F3N2O2/c1-9-14(16(23)24)15(11-8-21-7-6-13(11)22-9)10-4-2-3-5-12(10)17(18,19)20/h2-8H,1H3,(H,23,24)
InChIKeyCDNOCDMNCKWRBA-UHFFFAOYSA-N
XLogP4.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 175474580
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
[5-ethoxycarbonyloxy-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3-pyridinyl] 2-hydroxyethyl carbonate
CID 70474794
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 11955437
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid (CID 56636800) is 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid is Cc1nc2ccncc2c(-c2ccccc2C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is CDNOCDMNCKWRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c1-9-14(16(23)24)15(11-8-21-7-6-13(11)22-9)10-4-2-3-5-12(10)17(18,19)20/h2-8H,1H3,(H,23,24).
What are the key properties of 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid?
2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 56636800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).