3-(trifluoromethoxy)pyridine-4-carboxamide

C7H5F3N2O2 — CID 130088898

IUPAC3-(trifluoromethoxy)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)14-5-3-12-2-1-4(5)6(11)13/h1-3H,(H2,11,13)
InChIKeyIUXGPYRBVYVSEL-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.08
Rot. Bonds2

About 3-(trifluoromethoxy)pyridine-4-carboxamide

3-(trifluoromethoxy)pyridine-4-carboxamide (PubChem CID 130088898) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 3-(trifluoromethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethoxy)pyridine-4-carboxamide
PubChem CID130088898
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name3-(trifluoromethoxy)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)14-5-3-12-2-1-4(5)6(11)13/h1-3H,(H2,11,13)
InChIKeyIUXGPYRBVYVSEL-UHFFFAOYSA-N
XLogP1.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
2-amino-5-(trifluoromethoxy)pyridine-4-carboxamide
CID 119006501
4-sulfanyl-2-(trifluoromethoxy)benzamide
CID 170999331
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
5-amino-2-(trifluoromethoxy)pyridine-3-carboxamide
CID 130089257
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)pyridine-4-carboxamide?
The IUPAC name of 3-(trifluoromethoxy)pyridine-4-carboxamide (CID 130088898) is 3-(trifluoromethoxy)pyridine-4-carboxamide.
What is the SMILES notation for 3-(trifluoromethoxy)pyridine-4-carboxamide?
The canonical SMILES for 3-(trifluoromethoxy)pyridine-4-carboxamide is NC(=O)c1ccncc1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)pyridine-4-carboxamide?
The InChIKey is IUXGPYRBVYVSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)14-5-3-12-2-1-4(5)6(11)13/h1-3H,(H2,11,13).
What are the key properties of 3-(trifluoromethoxy)pyridine-4-carboxamide?
3-(trifluoromethoxy)pyridine-4-carboxamide has a molecular weight of 206.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 130088898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).