7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine

C10H6ClF3N2O — CID 10825407

IUPAC7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1cc(C(F)(F)F)c2ccc(Cl)nc2n1
InChIInChI=1S/C10H6ClF3N2O/c1-17-8-4-6(10(12,13)14)5-2-3-7(11)15-9(5)16-8/h2-4H,1H3
InChIKeyGQGZOOIWCLXDBD-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.31
Rot. Bonds1

About 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine

7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 10825407) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine
PubChem CID10825407
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1cc(C(F)(F)F)c2ccc(Cl)nc2n1
InChIInChI=1S/C10H6ClF3N2O/c1-17-8-4-6(10(12,13)14)5-2-3-7(11)15-9(5)16-8/h2-4H,1H3
InChIKeyGQGZOOIWCLXDBD-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine (CID 10825407) is 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine is COc1cc(C(F)(F)F)c2ccc(Cl)nc2n1.
What is the InChIKey of 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is GQGZOOIWCLXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c1-17-8-4-6(10(12,13)14)5-2-3-7(11)15-9(5)16-8/h2-4H,1H3.
What are the key properties of 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine?
7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 262.62 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methoxy-4-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 10825407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).