5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine

C15H12FN3 — CID 167492772

IUPAC5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine
SMILESNC1=CCN=C(c2ccccc2F)c2ccncc21
InChIInChI=1S/C15H12FN3/c16-13-4-2-1-3-11(13)15-10-5-7-18-9-12(10)14(17)6-8-19-15/h1-7,9H,8,17H2
InChIKeyUNDFKCHIYRJKKV-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.37
Rot. Bonds1

About 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine

5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine (PubChem CID 167492772) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine
PubChem CID167492772
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine
SMILESNC1=CCN=C(c2ccccc2F)c2ccncc21
InChIInChI=1S/C15H12FN3/c16-13-4-2-1-3-11(13)15-10-5-7-18-9-12(10)14(17)6-8-19-15/h1-7,9H,8,17H2
InChIKeyUNDFKCHIYRJKKV-UHFFFAOYSA-N
XLogP2.37
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine?
The IUPAC name of 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine (CID 167492772) is 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine?
The canonical SMILES for 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine is NC1=CCN=C(c2ccccc2F)c2ccncc21.
What is the InChIKey of 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine?
The InChIKey is UNDFKCHIYRJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-13-4-2-1-3-11(13)15-10-5-7-18-9-12(10)14(17)6-8-19-15/h1-7,9H,8,17H2.
What are the key properties of 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine?
5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine has a molecular weight of 253.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-7H-pyrido[4,3-c]azepin-9-amine is sourced from PubChem (CID 167492772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).