2-(trifluoromethyl)quinazoline-5-carboxylic acid

C10H5F3N2O2 — CID 140504349

IUPAC2-(trifluoromethyl)quinazoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C(F)(F)F)ncc12
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)9-14-4-6-5(8(16)17)2-1-3-7(6)15-9/h1-4H,(H,16,17)
InChIKeyQPCKZBIUYVSXGP-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.35
Rot. Bonds1

About 2-(trifluoromethyl)quinazoline-5-carboxylic acid

2-(trifluoromethyl)quinazoline-5-carboxylic acid (PubChem CID 140504349) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)quinazoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)quinazoline-5-carboxylic acid
PubChem CID140504349
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Name2-(trifluoromethyl)quinazoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C(F)(F)F)ncc12
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)9-14-4-6-5(8(16)17)2-1-3-7(6)15-9/h1-4H,(H,16,17)
InChIKeyQPCKZBIUYVSXGP-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
4-(2-chlorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22831559
2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid
CID 165494382
2-bromoquinoline-5-carboxylic acid
CID 174440420
4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83896941
2-chloro-5-(trifluoromethyl)quinoline-3-carboxylic acid
CID 87479875
3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305796
2-[carboxymethyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
CID 21003236
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
3-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61391092
3-acetyl-2-(trifluoromethoxy)benzoic acid
CID 174762676
3-ethylquinoline-5-carboxylic acid
CID 119085659

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)quinazoline-5-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)quinazoline-5-carboxylic acid (CID 140504349) is 2-(trifluoromethyl)quinazoline-5-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)quinazoline-5-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)quinazoline-5-carboxylic acid is O=C(O)c1cccc2nc(C(F)(F)F)ncc12.
What is the InChIKey of 2-(trifluoromethyl)quinazoline-5-carboxylic acid?
The InChIKey is QPCKZBIUYVSXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-10(12,13)9-14-4-6-5(8(16)17)2-1-3-7(6)15-9/h1-4H,(H,16,17).
What are the key properties of 2-(trifluoromethyl)quinazoline-5-carboxylic acid?
2-(trifluoromethyl)quinazoline-5-carboxylic acid has a molecular weight of 242.16 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)quinazoline-5-carboxylic acid is sourced from PubChem (CID 140504349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).