5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C8H5F3NO2- — CID 53406049

IUPAC5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1cc(C(=O)[O-])cnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-4-2-5(7(13)14)3-12-6(4)8(9,10)11/h2-3H,1H3,(H,13,14)/p-1
InChIKeyHECOUXKBSDTMFZ-UHFFFAOYSA-M
MW204.13 g/mol
LogP0.77
Rot. Bonds1

About 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 53406049) has the molecular formula C8H5F3NO2- and a molecular weight of 204.13 g/mol. Its IUPAC name is 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID53406049
Molecular FormulaC8H5F3NO2-
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1cc(C(=O)[O-])cnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-4-2-5(7(13)14)3-12-6(4)8(9,10)11/h2-3H,1H3,(H,13,14)/p-1
InChIKeyHECOUXKBSDTMFZ-UHFFFAOYSA-M
XLogP0.77
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 58001739
4-(4-carboxylato-2-methylphenyl)-3-methylbenzoate
CID 22358461
copper bis(3,5-bis(trifluoromethyl)benzoate)
CID 102509886
sodium 3,5-bis(trifluoromethyl)benzoate
CID 23682278
1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methylbutan-1-one
CID 167658009
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 80631790
1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one
CID 130136097
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide
CID 101053138
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
quinoline-3-carboxylate
CID 4608508
5-methyl-2-(trifluoromethyl)pyridin-3-amine
CID 75488647

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 53406049) is 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is Cc1cc(C(=O)[O-])cnc1C(F)(F)F.
What is the InChIKey of 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is HECOUXKBSDTMFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3NO2/c1-4-2-5(7(13)14)3-12-6(4)8(9,10)11/h2-3H,1H3,(H,13,14)/p-1.
What are the key properties of 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 204.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 53406049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).