2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide

C11H8F5N5O2 — CID 122156299

IUPAC2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccnc(OCC(F)F)c1
InChIInChI=1S/C11H8F5N5O2/c12-6(13)4-23-7-3-5(1-2-17-7)8(22)18-10-19-9(20-21-10)11(14,15)16/h1-3,6H,4H2,(H2,18,19,20,21,22)
InChIKeyFZVZSFCWVRHSIH-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.11
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide

2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide (PubChem CID 122156299) has the molecular formula C11H8F5N5O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
PubChem CID122156299
Molecular FormulaC11H8F5N5O2
Molecular Weight337.21 g/mol
Exact Mass337.06
IUPAC Name2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccnc(OCC(F)F)c1
InChIInChI=1S/C11H8F5N5O2/c12-6(13)4-23-7-3-5(1-2-17-7)8(22)18-10-19-9(20-21-10)11(14,15)16/h1-3,6H,4H2,(H2,18,19,20,21,22)
InChIKeyFZVZSFCWVRHSIH-UHFFFAOYSA-N
XLogP2.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 47995157
3,4-dimethoxy-5-prop-2-enyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36580401
4-(cyclopropylamino)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579381
3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579877
2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
CID 167781525
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
3,5-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 36580103
5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36580797
3-piperidin-1-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 43021038
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide (CID 122156299) is 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccnc(OCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The InChIKey is FZVZSFCWVRHSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N5O2/c12-6(13)4-23-7-3-5(1-2-17-7)8(22)18-10-19-9(20-21-10)11(14,15)16/h1-3,6H,4H2,(H2,18,19,20,21,22).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 122156299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).