1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine

C12H5Cl2FN2 — CID 59375375

IUPAC1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine
SMILESFc1ccc2c(Cl)nc3ccnc(Cl)c3c2c1
InChIInChI=1S/C12H5Cl2FN2/c13-11-7-2-1-6(15)5-8(7)10-9(17-11)3-4-16-12(10)14/h1-5H
InChIKeyRPIXCIZJXGRRQM-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.23
Rot. Bonds

About 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine

1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine (PubChem CID 59375375) has the molecular formula C12H5Cl2FN2 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine.

Molecular Properties

Compound Name1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine
PubChem CID59375375
Molecular FormulaC12H5Cl2FN2
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine
SMILESFc1ccc2c(Cl)nc3ccnc(Cl)c3c2c1
InChIInChI=1S/C12H5Cl2FN2/c13-11-7-2-1-6(15)5-8(7)10-9(17-11)3-4-16-12(10)14/h1-5H
InChIKeyRPIXCIZJXGRRQM-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine?
The IUPAC name of 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine (CID 59375375) is 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine.
What is the SMILES notation for 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine?
The canonical SMILES for 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine is Fc1ccc2c(Cl)nc3ccnc(Cl)c3c2c1.
What is the InChIKey of 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine?
The InChIKey is RPIXCIZJXGRRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2/c13-11-7-2-1-6(15)5-8(7)10-9(17-11)3-4-16-12(10)14/h1-5H.
What are the key properties of 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine?
1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine has a molecular weight of 267.09 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine is sourced from PubChem (CID 59375375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).