1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine

C9H5Cl2FN2 — CID 172607213

IUPAC1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine
SMILESCc1cc2c(F)c(Cl)ncc2c(Cl)n1
InChIInChI=1S/C9H5Cl2FN2/c1-4-2-5-6(8(10)14-4)3-13-9(11)7(5)12/h2-3H,1H3
InChIKeyOXUSAUIVFBBOKT-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.38
Rot. Bonds

About 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine

1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine (PubChem CID 172607213) has the molecular formula C9H5Cl2FN2 and a molecular weight of 231.06 g/mol. Its IUPAC name is 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine.

Molecular Properties

Compound Name1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine
PubChem CID172607213
Molecular FormulaC9H5Cl2FN2
Molecular Weight231.06 g/mol
Exact Mass229.98
IUPAC Name1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine
SMILESCc1cc2c(F)c(Cl)ncc2c(Cl)n1
InChIInChI=1S/C9H5Cl2FN2/c1-4-2-5-6(8(10)14-4)3-13-9(11)7(5)12/h2-3H,1H3
InChIKeyOXUSAUIVFBBOKT-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine?
The IUPAC name of 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine (CID 172607213) is 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine.
What is the SMILES notation for 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine?
The canonical SMILES for 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine is Cc1cc2c(F)c(Cl)ncc2c(Cl)n1.
What is the InChIKey of 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine?
The InChIKey is OXUSAUIVFBBOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2/c1-4-2-5-6(8(10)14-4)3-13-9(11)7(5)12/h2-3H,1H3.
What are the key properties of 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine?
1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine has a molecular weight of 231.06 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine is sourced from PubChem (CID 172607213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).