N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H10F4N6O2 — CID 55812153

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H10F4N6O2/c16-11-3-2-10(25-8-21-23-24-25)5-12(11)22-14(26)9-1-4-13(20-6-9)27-7-15(17,18)19/h1-6,8H,7H2,(H,22,26)
InChIKeyPUIRIMCEKDLNKJ-UHFFFAOYSA-N
MW382.28 g/mol
LogP2.39
Rot. Bonds5

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55812153) has the molecular formula C15H10F4N6O2 and a molecular weight of 382.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55812153
Molecular FormulaC15H10F4N6O2
Molecular Weight382.28 g/mol
Exact Mass382.08
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H10F4N6O2/c16-11-3-2-10(25-8-21-23-24-25)5-12(11)22-14(26)9-1-4-13(20-6-9)27-7-15(17,18)19/h1-6,8H,7H2,(H,22,26)
InChIKeyPUIRIMCEKDLNKJ-UHFFFAOYSA-N
XLogP2.39
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51090541
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
3-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 86805849
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46563842
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55813794
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55807567

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55812153) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PUIRIMCEKDLNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N6O2/c16-11-3-2-10(25-8-21-23-24-25)5-12(11)22-14(26)9-1-4-13(20-6-9)27-7-15(17,18)19/h1-6,8H,7H2,(H,22,26).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 382.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55812153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).