3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C13H9F3N6O — CID 135372390

IUPAC3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H9F3N6O/c14-13(15,16)23-9-5-3-8(4-6-9)18-11-10(2-1-7-17-11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22)
InChIKeyDIXMTMUDAZPGOJ-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.90
Rot. Bonds4

About 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 135372390) has the molecular formula C13H9F3N6O and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID135372390
Molecular FormulaC13H9F3N6O
Molecular Weight322.25 g/mol
Exact Mass322.08
IUPAC Name3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H9F3N6O/c14-13(15,16)23-9-5-3-8(4-6-9)18-11-10(2-1-7-17-11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22)
InChIKeyDIXMTMUDAZPGOJ-UHFFFAOYSA-N
XLogP2.90
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 135372289
ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 142468341
2-[4-(trifluoromethoxy)anilino]pyridine-3-carbothioamide
CID 28514655
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 178120441
N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
CID 135372809
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 168877171
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 135372390) is 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1ccc(Nc2ncccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is DIXMTMUDAZPGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O/c14-13(15,16)23-9-5-3-8(4-6-9)18-11-10(2-1-7-17-11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22).
What are the key properties of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 322.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 135372390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).