2-chloro-4-propan-2-yloxy-1,8-naphthyridine

C11H11ClN2O — CID 146486135

IUPAC2-chloro-4-propan-2-yloxy-1,8-naphthyridine
SMILESCC(C)Oc1cc(Cl)nc2ncccc12
InChIInChI=1S/C11H11ClN2O/c1-7(2)15-9-6-10(12)14-11-8(9)4-3-5-13-11/h3-7H,1-2H3
InChIKeyMENRUINRJQHJBQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-4-propan-2-yloxy-1,8-naphthyridine

2-chloro-4-propan-2-yloxy-1,8-naphthyridine (PubChem CID 146486135) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yloxy-1,8-naphthyridine.

Molecular Properties

Compound Name2-chloro-4-propan-2-yloxy-1,8-naphthyridine
PubChem CID146486135
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-4-propan-2-yloxy-1,8-naphthyridine
SMILESCC(C)Oc1cc(Cl)nc2ncccc12
InChIInChI=1S/C11H11ClN2O/c1-7(2)15-9-6-10(12)14-11-8(9)4-3-5-13-11/h3-7H,1-2H3
InChIKeyMENRUINRJQHJBQ-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.07
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 2-chloro-4-propan-2-yloxy-1,8-naphthyridine?
The IUPAC name of 2-chloro-4-propan-2-yloxy-1,8-naphthyridine (CID 146486135) is 2-chloro-4-propan-2-yloxy-1,8-naphthyridine.
What is the SMILES notation for 2-chloro-4-propan-2-yloxy-1,8-naphthyridine?
The canonical SMILES for 2-chloro-4-propan-2-yloxy-1,8-naphthyridine is CC(C)Oc1cc(Cl)nc2ncccc12.
What is the InChIKey of 2-chloro-4-propan-2-yloxy-1,8-naphthyridine?
The InChIKey is MENRUINRJQHJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7(2)15-9-6-10(12)14-11-8(9)4-3-5-13-11/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-propan-2-yloxy-1,8-naphthyridine?
2-chloro-4-propan-2-yloxy-1,8-naphthyridine has a molecular weight of 222.68 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yloxy-1,8-naphthyridine is sourced from PubChem (CID 146486135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).