4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine

C13H12N2O2 — CID 167521512

IUPAC4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine
SMILESC#Cc1c(OCCOC)ncc2cnccc12
InChIInChI=1S/C13H12N2O2/c1-3-11-12-4-5-14-8-10(12)9-15-13(11)17-7-6-16-2/h1,4-5,8-9H,6-7H2,2H3
InChIKeyLWRZUDRCLPGFFA-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.64
Rot. Bonds4

About 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine

4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine (PubChem CID 167521512) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine.

Molecular Properties

Compound Name4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine
PubChem CID167521512
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine
SMILESC#Cc1c(OCCOC)ncc2cnccc12
InChIInChI=1S/C13H12N2O2/c1-3-11-12-4-5-14-8-10(12)9-15-13(11)17-7-6-16-2/h1,4-5,8-9H,6-7H2,2H3
InChIKeyLWRZUDRCLPGFFA-UHFFFAOYSA-N
XLogP1.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(6-(2-Methoxyethoxy)pyridin-3-yl)methanamine
CID 20113673
3,4-Dihydro-2H-pyrano[2,3-b]pyridine
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5-Ethynyl-2-(propan-2-yloxy)pyridine
CID 74788713
5-Bromo-1-methoxy-2,7-naphthyridine
CID 137928487
2-(Pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyridine
CID 172433841
2-(Pyridin-3-ylmethoxy)-4-(trifluoromethyl)pyridine
CID 172436928
2,2'-(1,2-Ethanediylbis(oxy))bis(pyridine)
CID 2747680
3-Ethoxyisoquinoline
CID 640966
1-Methoxypyrido[3,4-d]pyridazine
CID 154775
1-Prop-2-enoxyisoquinoline
CID 119092728
4-Methoxypyrido[3,4-d]pyridazine
CID 154776
2-Methoxy-3'-methyl-3,4'-bipyridine
CID 56704755

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine?
The IUPAC name of 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine (CID 167521512) is 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine.
What is the SMILES notation for 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine?
The canonical SMILES for 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine is C#Cc1c(OCCOC)ncc2cnccc12.
What is the InChIKey of 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine?
The InChIKey is LWRZUDRCLPGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-3-11-12-4-5-14-8-10(12)9-15-13(11)17-7-6-16-2/h1,4-5,8-9H,6-7H2,2H3.
What are the key properties of 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine?
4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine has a molecular weight of 228.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-(2-methoxyethoxy)-2,7-naphthyridine is sourced from PubChem (CID 167521512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).