2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid

C14H10F3NO3 — CID 67521270

IUPAC2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-10-5-3-9(4-6-10)8-12-11(13(19)20)2-1-7-18-12/h1-7H,8H2,(H,19,20)
InChIKeyMKDJTXMDYWWWHW-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.27
Rot. Bonds4

About 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid

2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 67521270) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID67521270
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-10-5-3-9(4-6-10)8-12-11(13(19)20)2-1-7-18-12/h1-7H,8H2,(H,19,20)
InChIKeyMKDJTXMDYWWWHW-UHFFFAOYSA-N
XLogP3.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-benzylpyridine-3-carboxylic acid;2-hydroxybutanedioic acid
CID 66808540
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 144867195
2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid (CID 67521270) is 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is MKDJTXMDYWWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)21-10-5-3-9(4-6-10)8-12-11(13(19)20)2-1-7-18-12/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid?
2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67521270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).