2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid

C13H8F3NO3 — CID 50999403

IUPAC2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)10-7-8(12(18)19)5-6-17-10/h1-7H,(H,18,19)
InChIKeyVKQUTWDSBGIORX-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.35
Rot. Bonds3

About 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid

2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid (PubChem CID 50999403) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
PubChem CID50999403
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)10-7-8(12(18)19)5-6-17-10/h1-7H,(H,18,19)
InChIKeyVKQUTWDSBGIORX-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410
2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 123962204
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134617951
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
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
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid (CID 50999403) is 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
The InChIKey is VKQUTWDSBGIORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)10-7-8(12(18)19)5-6-17-10/h1-7H,(H,18,19).
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid?
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 50999403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).