7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile

C13H10ClN3O — CID 168932340

IUPAC7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile
SMILESCC1(Oc2nc(C#N)cc3cnc(Cl)cc23)CC1
InChIInChI=1S/C13H10ClN3O/c1-13(2-3-13)18-12-10-5-11(14)16-7-8(10)4-9(6-15)17-12/h4-5,7H,2-3H2,1H3
InChIKeyRJGJDASJFLWYQW-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.09
Rot. Bonds2

About 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile

7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932340) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile
PubChem CID168932340
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile
SMILESCC1(Oc2nc(C#N)cc3cnc(Cl)cc23)CC1
InChIInChI=1S/C13H10ClN3O/c1-13(2-3-13)18-12-10-5-11(14)16-7-8(10)4-9(6-15)17-12/h4-5,7H,2-3H2,1H3
InChIKeyRJGJDASJFLWYQW-UHFFFAOYSA-N
XLogP3.09
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile (CID 168932340) is 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile is CC1(Oc2nc(C#N)cc3cnc(Cl)cc23)CC1.
What is the InChIKey of 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile?
The InChIKey is RJGJDASJFLWYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-13(2-3-13)18-12-10-5-11(14)16-7-8(10)4-9(6-15)17-12/h4-5,7H,2-3H2,1H3.
What are the key properties of 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile?
7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).