2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid

C14H10F3NO4 — CID 134620786

IUPAC2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESCOc1ncc(-c2ccccc2OC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C14H10F3NO4/c1-21-12-10(13(19)20)6-8(7-18-12)9-4-2-3-5-11(9)22-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeySULDQWSLZSGRKS-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.35
Rot. Bonds4

About 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid

2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (PubChem CID 134620786) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
PubChem CID134620786
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESCOc1ncc(-c2ccccc2OC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C14H10F3NO4/c1-21-12-10(13(19)20)6-8(7-18-12)9-4-2-3-5-11(9)22-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeySULDQWSLZSGRKS-UHFFFAOYSA-N
XLogP3.35
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
[3,5-bis[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 134623328
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
1-methyl-5-[2-(trifluoromethoxy)phenyl]indole-3-carboxylic acid
CID 172654697

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (CID 134620786) is 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is COc1ncc(-c2ccccc2OC(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The InChIKey is SULDQWSLZSGRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c1-21-12-10(13(19)20)6-8(7-18-12)9-4-2-3-5-11(9)22-14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid has a molecular weight of 313.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).