2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid

C15H8F3NO3 — CID 115113980

IUPAC2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3c(C(F)(F)F)cccc3o2)c1
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)10-2-1-3-12-9(10)7-13(22-12)11-6-8(14(20)21)4-5-19-11/h1-7H,(H,20,21)
InChIKeyRXNBRZKLRPMGCY-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.21
Rot. Bonds2

About 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid

2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid (PubChem CID 115113980) has the molecular formula C15H8F3NO3 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
PubChem CID115113980
Molecular FormulaC15H8F3NO3
Molecular Weight307.23 g/mol
Exact Mass307.05
IUPAC Name2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3c(C(F)(F)F)cccc3o2)c1
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)10-2-1-3-12-9(10)7-13(22-12)11-6-8(14(20)21)4-5-19-11/h1-7H,(H,20,21)
InChIKeyRXNBRZKLRPMGCY-UHFFFAOYSA-N
XLogP4.21
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113829
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113759
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine
CID 115113707
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376011
1-[4-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-one
CID 117194219
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid (CID 115113980) is 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3c(C(F)(F)F)cccc3o2)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid?
The InChIKey is RXNBRZKLRPMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO3/c16-15(17,18)10-2-1-3-12-9(10)7-13(22-12)11-6-8(14(20)21)4-5-19-11/h1-7H,(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid?
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid has a molecular weight of 307.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 115113980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).