ethane;3-methyl-1,8-naphthyridine

C11H14N2 — CID 90816561

IUPACethane;3-methyl-1,8-naphthyridine
SMILESCC.Cc1cnc2ncccc2c1
InChIInChI=1S/C9H8N2.C2H6/c1-7-5-8-3-2-4-10-9(8)11-6-7;1-2/h2-6H,1H3;1-2H3
InChIKeyAERAJVQNRCQARN-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.96
Rot. Bonds

About ethane;3-methyl-1,8-naphthyridine

ethane;3-methyl-1,8-naphthyridine (PubChem CID 90816561) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is ethane;3-methyl-1,8-naphthyridine.

Molecular Properties

Compound Nameethane;3-methyl-1,8-naphthyridine
PubChem CID90816561
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Nameethane;3-methyl-1,8-naphthyridine
SMILESCC.Cc1cnc2ncccc2c1
InChIInChI=1S/C9H8N2.C2H6/c1-7-5-8-3-2-4-10-9(8)11-6-7;1-2/h2-6H,1H3;1-2H3
InChIKeyAERAJVQNRCQARN-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,8-naphthyridine?
The IUPAC name of ethane;3-methyl-1,8-naphthyridine (CID 90816561) is ethane;3-methyl-1,8-naphthyridine.
What is the SMILES notation for ethane;3-methyl-1,8-naphthyridine?
The canonical SMILES for ethane;3-methyl-1,8-naphthyridine is CC.Cc1cnc2ncccc2c1.
What is the InChIKey of ethane;3-methyl-1,8-naphthyridine?
The InChIKey is AERAJVQNRCQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6/c1-7-5-8-3-2-4-10-9(8)11-6-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,8-naphthyridine?
ethane;3-methyl-1,8-naphthyridine has a molecular weight of 174.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,8-naphthyridine is sourced from PubChem (CID 90816561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).