[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine

C15H11ClFN3 — CID 58368660

IUPAC[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine
SMILESNCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C15H11ClFN3/c16-13-7-10(8-18)14(9-2-1-3-11(17)6-9)15-12(13)4-5-19-20-15/h1-7H,8,18H2
InChIKeyJWBKAGXYWZPFFR-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.55
Rot. Bonds2

About [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine

[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine (PubChem CID 58368660) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine
PubChem CID58368660
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine
SMILESNCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C15H11ClFN3/c16-13-7-10(8-18)14(9-2-1-3-11(17)6-9)15-12(13)4-5-19-20-15/h1-7H,8,18H2
InChIKeyJWBKAGXYWZPFFR-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine?
The IUPAC name of [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine (CID 58368660) is [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine.
What is the SMILES notation for [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine?
The canonical SMILES for [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine is NCc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine?
The InChIKey is JWBKAGXYWZPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-13-7-10(8-18)14(9-2-1-3-11(17)6-9)15-12(13)4-5-19-20-15/h1-7H,8,18H2.
What are the key properties of [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine?
[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine has a molecular weight of 287.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine is sourced from PubChem (CID 58368660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).