(6-methylpyridazin-4-yl) formate

C6H6N2O2 — CID 135195988

IUPAC(6-methylpyridazin-4-yl) formate
SMILESCc1cc(OC=O)cnn1
InChIInChI=1S/C6H6N2O2/c1-5-2-6(10-4-9)3-7-8-5/h2-4H,1H3
InChIKeyRHVFYMRLXWGCQQ-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.32
Rot. Bonds2

About (6-methylpyridazin-4-yl) formate

(6-methylpyridazin-4-yl) formate (PubChem CID 135195988) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is (6-methylpyridazin-4-yl) formate.

Molecular Properties

Compound Name(6-methylpyridazin-4-yl) formate
PubChem CID135195988
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name(6-methylpyridazin-4-yl) formate
SMILESCc1cc(OC=O)cnn1
InChIInChI=1S/C6H6N2O2/c1-5-2-6(10-4-9)3-7-8-5/h2-4H,1H3
InChIKeyRHVFYMRLXWGCQQ-UHFFFAOYSA-N
XLogP0.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methylpyridazin-4-yl) formate?
The IUPAC name of (6-methylpyridazin-4-yl) formate (CID 135195988) is (6-methylpyridazin-4-yl) formate.
What is the SMILES notation for (6-methylpyridazin-4-yl) formate?
The canonical SMILES for (6-methylpyridazin-4-yl) formate is Cc1cc(OC=O)cnn1.
What is the InChIKey of (6-methylpyridazin-4-yl) formate?
The InChIKey is RHVFYMRLXWGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-5-2-6(10-4-9)3-7-8-5/h2-4H,1H3.
What are the key properties of (6-methylpyridazin-4-yl) formate?
(6-methylpyridazin-4-yl) formate has a molecular weight of 138.13 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyridazin-4-yl) formate is sourced from PubChem (CID 135195988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).