2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide

C15H12F2N6O2 — CID 136518368

IUPAC2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccnc1OCC(F)F
InChIInChI=1S/C15H12F2N6O2/c16-12(17)8-25-15-11(5-2-6-18-15)14(24)19-10-4-1-3-9(7-10)13-20-22-23-21-13/h1-7,12H,8H2,(H,19,24)(H,20,21,22,23)
InChIKeyKMEZZWLOVJTXGW-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.16
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 136518368) has the molecular formula C15H12F2N6O2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID136518368
Molecular FormulaC15H12F2N6O2
Molecular Weight346.30 g/mol
Exact Mass346.10
IUPAC Name2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccnc1OCC(F)F
InChIInChI=1S/C15H12F2N6O2/c16-12(17)8-25-15-11(5-2-6-18-15)14(24)19-10-4-1-3-9(7-10)13-20-22-23-21-13/h1-7,12H,8H2,(H,19,24)(H,20,21,22,23)
InChIKeyKMEZZWLOVJTXGW-UHFFFAOYSA-N
XLogP2.16
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide (CID 136518368) is 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccnc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is KMEZZWLOVJTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6O2/c16-12(17)8-25-15-11(5-2-6-18-15)14(24)19-10-4-1-3-9(7-10)13-20-22-23-21-13/h1-7,12H,8H2,(H,19,24)(H,20,21,22,23).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 346.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 136518368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).