3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline

C19H15FN6 — CID 142807301

IUPAC3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline
SMILESCNc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C19H15FN6/c1-21-16-6-4-5-13(10-16)14-9-15(20)12-17(11-14)26-24-19(23-25-26)18-7-2-3-8-22-18/h2-12,21H,1H3
InChIKeyBCFROZRMFFZPJK-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.57
Rot. Bonds4

About 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline

3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline (PubChem CID 142807301) has the molecular formula C19H15FN6 and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline.

Molecular Properties

Compound Name3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline
PubChem CID142807301
Molecular FormulaC19H15FN6
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC Name3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline
SMILESCNc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C19H15FN6/c1-21-16-6-4-5-13(10-16)14-9-15(20)12-17(11-14)26-24-19(23-25-26)18-7-2-3-8-22-18/h2-12,21H,1H3
InChIKeyBCFROZRMFFZPJK-UHFFFAOYSA-N
XLogP3.57
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine
CID 69151599
1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
CID 58929263
2-[2-[3-(2,6-dimethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-(2,3-dimethylphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(3-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-(3-fluoro-5-naphthalen-1-ylphenyl)tetrazol-5-yl]pyridine;2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzaldehyde
CID 158825874
2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
CID 68616100
2-[2-[3-fluoro-5-(2-methylsulfanylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyrimidine;N-[4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]acetamide;methyl 2-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate
CID 160643908
ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
CID 142231939
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318
N-methylaniline;N-methyl-3-(6-pyridin-2-yl-3-pyridinyl)aniline
CID 143267232
2-[2-(2,6-dichlorophenyl)tetrazol-5-yl]pyridine
CID 58929285
2-[2-[3-(2,6-difluorophenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]tetrazol-5-yl]pyridine;2-[2-[3-fluoro-5-(2-pyrazol-1-ylphenyl)phenyl]tetrazol-5-yl]pyridine;[3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]methanol;5-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine
CID 162189021
2-[1-(3-fluoro-5-phenylphenyl)pyrrol-3-yl]pyridine
CID 141101934
2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole
CID 106530553

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline?
The IUPAC name of 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline (CID 142807301) is 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline.
What is the SMILES notation for 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline?
The canonical SMILES for 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline is CNc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1.
What is the InChIKey of 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline?
The InChIKey is BCFROZRMFFZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6/c1-21-16-6-4-5-13(10-16)14-9-15(20)12-17(11-14)26-24-19(23-25-26)18-7-2-3-8-22-18/h2-12,21H,1H3.
What are the key properties of 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline?
3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline has a molecular weight of 346.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline is sourced from PubChem (CID 142807301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).