3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

C14H13F3N2O3 — CID 58442313

IUPAC3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(-n2c(C)ccc2C)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O3/c1-7-4-5-8(2)19(7)10-6-9(14(15,16)17)12(22-3)18-11(10)13(20)21/h4-6H,1-3H3,(H,20,21)
InChIKeyKLTXKAUHBUHORP-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.21
Rot. Bonds3

About 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 58442313) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID58442313
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(-n2c(C)ccc2C)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O3/c1-7-4-5-8(2)19(7)10-6-9(14(15,16)17)12(22-3)18-11(10)13(20)21/h4-6H,1-3H3,(H,20,21)
InChIKeyKLTXKAUHBUHORP-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-5-(trifluoromethyl)picolinic acid
CID 73554371
3-Amino-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid
CID 58442320
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-6-ethoxy-5-(trifluoromethyl)picolinic acid
CID 58442329
3-(2,5-Dimethyl-pyrrol-1-yl)-5,6-bis-trifluoromethyl-pyridine-2-carboxylic acid
CID 58442365
6-Bromo-3-(2,5-dimethyl-pyrrol-1-yl)-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
CID 58442369
Methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-6-ethoxy-5-(trifluoromethyl)picolinate
CID 67383877
Methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)picolinate
CID 67387130
3-Amino-6-(2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
CID 68161062
3-Amino-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 68161506
3-Amino-5-fluoro-6-(2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
CID 68161535
3-Amino-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 68161615
3-Amino-6-(2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
CID 68161789

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 58442313) is 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is COc1nc(C(=O)O)c(-n2c(C)ccc2C)cc1C(F)(F)F.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is KLTXKAUHBUHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-7-4-5-8(2)19(7)10-6-9(14(15,16)17)12(22-3)18-11(10)13(20)21/h4-6H,1-3H3,(H,20,21).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 314.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 58442313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).