naphthalen-1-ylmethyl pyridazine-3-carboxylate

C16H12N2O2 — CID 154460652

IUPACnaphthalen-1-ylmethyl pyridazine-3-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1cccnn1
InChIInChI=1S/C16H12N2O2/c19-16(15-9-4-10-17-18-15)20-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyYIWGTIRBHRPAII-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.99
Rot. Bonds3

About naphthalen-1-ylmethyl pyridazine-3-carboxylate

naphthalen-1-ylmethyl pyridazine-3-carboxylate (PubChem CID 154460652) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is naphthalen-1-ylmethyl pyridazine-3-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl pyridazine-3-carboxylate
PubChem CID154460652
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Namenaphthalen-1-ylmethyl pyridazine-3-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1cccnn1
InChIInChI=1S/C16H12N2O2/c19-16(15-9-4-10-17-18-15)20-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyYIWGTIRBHRPAII-UHFFFAOYSA-N
XLogP2.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246898
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CID 22403369
naphthalen-1-ylmethyl propanoate
CID 13262702
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
naphthalen-1-ylmethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 24564864
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746
naphthalen-1-ylmethyl 4-hydroxy-1-phenylpyrazole-3-carboxylate
CID 2544683
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl pyridazine-3-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl pyridazine-3-carboxylate (CID 154460652) is naphthalen-1-ylmethyl pyridazine-3-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl pyridazine-3-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl pyridazine-3-carboxylate is O=C(OCc1cccc2ccccc12)c1cccnn1.
What is the InChIKey of naphthalen-1-ylmethyl pyridazine-3-carboxylate?
The InChIKey is YIWGTIRBHRPAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(15-9-4-10-17-18-15)20-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2.
What are the key properties of naphthalen-1-ylmethyl pyridazine-3-carboxylate?
naphthalen-1-ylmethyl pyridazine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl pyridazine-3-carboxylate is sourced from PubChem (CID 154460652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).