8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine

C13H17ClN2 — CID 122501472

IUPAC8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine
SMILESC=C(C)c1cc2c(c(Cl)n1)NCCC2(C)C
InChIInChI=1S/C13H17ClN2/c1-8(2)10-7-9-11(12(14)16-10)15-6-5-13(9,3)4/h7,15H,1,5-6H2,2-4H3
InChIKeyRWEOEJNIJJPMFA-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.86
Rot. Bonds1

About 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine

8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine (PubChem CID 122501472) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine.

Molecular Properties

Compound Name8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine
PubChem CID122501472
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine
SMILESC=C(C)c1cc2c(c(Cl)n1)NCCC2(C)C
InChIInChI=1S/C13H17ClN2/c1-8(2)10-7-9-11(12(14)16-10)15-6-5-13(9,3)4/h7,15H,1,5-6H2,2-4H3
InChIKeyRWEOEJNIJJPMFA-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
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 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine?
The IUPAC name of 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine (CID 122501472) is 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine.
What is the SMILES notation for 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine?
The canonical SMILES for 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine is C=C(C)c1cc2c(c(Cl)n1)NCCC2(C)C.
What is the InChIKey of 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine?
The InChIKey is RWEOEJNIJJPMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8(2)10-7-9-11(12(14)16-10)15-6-5-13(9,3)4/h7,15H,1,5-6H2,2-4H3.
What are the key properties of 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine?
8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine has a molecular weight of 236.75 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine is sourced from PubChem (CID 122501472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).