6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine

C16H10ClF3N6O — CID 118452445

IUPAC6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1cc(NCc2ccc3cc(-c4nn[nH]n4)oc3c2)cnc1Cl
InChIInChI=1S/C16H10ClF3N6O/c17-14-11(16(18,19)20)5-10(7-22-14)21-6-8-1-2-9-4-13(27-12(9)3-8)15-23-25-26-24-15/h1-5,7,21H,6H2,(H,23,24,25,26)
InChIKeyOOAJBNZHGMHXSN-UHFFFAOYSA-N
MW394.74 g/mol
LogP4.29
Rot. Bonds4

About 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine

6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 118452445) has the molecular formula C16H10ClF3N6O and a molecular weight of 394.74 g/mol. Its IUPAC name is 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine
PubChem CID118452445
Molecular FormulaC16H10ClF3N6O
Molecular Weight394.74 g/mol
Exact Mass394.06
IUPAC Name6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1cc(NCc2ccc3cc(-c4nn[nH]n4)oc3c2)cnc1Cl
InChIInChI=1S/C16H10ClF3N6O/c17-14-11(16(18,19)20)5-10(7-22-14)21-6-8-1-2-9-4-13(27-12(9)3-8)15-23-25-26-24-15/h1-5,7,21H,6H2,(H,23,24,25,26)
InChIKeyOOAJBNZHGMHXSN-UHFFFAOYSA-N
XLogP4.29
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine with MolForge

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Related Compounds

3-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methylamino]benzenethiol
CID 118466629
3-chloro-N-[[6-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 118452492
1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine
CID 118452587
N-[[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-4-propyl-3-(trifluoromethyl)aniline
CID 118452651
N-[[6-fluoro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)aniline
CID 118452488
4-ethoxy-N-[[5-fluoro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-3-(trifluoromethyl)aniline
CID 118452474
N-[[7-fluoro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(trifluoromethoxy)-3-(trifluoromethyl)aniline
CID 118452697
3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
CID 118452471
4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
CID 118452539
N-[[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-4-ethoxy-3-(fluoromethyl)aniline
CID 118460914
2-chloro-5-[2-[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]ethyl]pyridine;fluoroform
CID 158690519
6-[[3-chloro-4-fluoro-5-(trifluoromethyl)anilino]methyl]-1-benzofuran-2-carboxylic acid
CID 118452489

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine (CID 118452445) is 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine is FC(F)(F)c1cc(NCc2ccc3cc(-c4nn[nH]n4)oc3c2)cnc1Cl.
What is the InChIKey of 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is OOAJBNZHGMHXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N6O/c17-14-11(16(18,19)20)5-10(7-22-14)21-6-8-1-2-9-4-13(27-12(9)3-8)15-23-25-26-24-15/h1-5,7,21H,6H2,(H,23,24,25,26).
What are the key properties of 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine?
6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 394.74 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 118452445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).