7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine

C12H13ClN2O — CID 59256548

IUPAC7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine
SMILESCc1ccc2cnc(Cl)c(OC(C)C)c2n1
InChIInChI=1S/C12H13ClN2O/c1-7(2)16-11-10-9(6-14-12(11)13)5-4-8(3)15-10/h4-7H,1-3H3
InChIKeyZOLCOOFZSAPYBE-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.38
Rot. Bonds2

About 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine

7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine (PubChem CID 59256548) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine
PubChem CID59256548
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine
SMILESCc1ccc2cnc(Cl)c(OC(C)C)c2n1
InChIInChI=1S/C12H13ClN2O/c1-7(2)16-11-10-9(6-14-12(11)13)5-4-8(3)15-10/h4-7H,1-3H3
InChIKeyZOLCOOFZSAPYBE-UHFFFAOYSA-N
XLogP3.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.38
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-methyl-8-propan-2-yloxy-1,6-naphthyridine?
The IUPAC name of 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine (CID 59256548) is 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine.
What is the SMILES notation for 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine?
The canonical SMILES for 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine is Cc1ccc2cnc(Cl)c(OC(C)C)c2n1.
What is the InChIKey of 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine?
The InChIKey is ZOLCOOFZSAPYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)16-11-10-9(6-14-12(11)13)5-4-8(3)15-10/h4-7H,1-3H3.
What are the key properties of 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine?
7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine has a molecular weight of 236.70 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-8-propan-2-yloxy-1,6-naphthyridine is sourced from PubChem (CID 59256548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).