(6-chloropyridazin-4-yl) formate

C5H3ClN2O2 — CID 135195989

IUPAC(6-chloropyridazin-4-yl) formate
SMILESO=COc1cnnc(Cl)c1
InChIInChI=1S/C5H3ClN2O2/c6-5-1-4(10-3-9)2-7-8-5/h1-3H
InChIKeyZZUJHHUOUKUIHW-UHFFFAOYSA-N
MW158.54 g/mol
LogP0.67
Rot. Bonds2

About (6-chloropyridazin-4-yl) formate

(6-chloropyridazin-4-yl) formate (PubChem CID 135195989) has the molecular formula C5H3ClN2O2 and a molecular weight of 158.54 g/mol. Its IUPAC name is (6-chloropyridazin-4-yl) formate.

Molecular Properties

Compound Name(6-chloropyridazin-4-yl) formate
PubChem CID135195989
Molecular FormulaC5H3ClN2O2
Molecular Weight158.54 g/mol
Exact Mass157.99
IUPAC Name(6-chloropyridazin-4-yl) formate
SMILESO=COc1cnnc(Cl)c1
InChIInChI=1S/C5H3ClN2O2/c6-5-1-4(10-3-9)2-7-8-5/h1-3H
InChIKeyZZUJHHUOUKUIHW-UHFFFAOYSA-N
XLogP0.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.54
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-5-methoxypyridazine
CID 10975612
3-Chloro-5-(2,2,2-trifluoroethoxy)pyridazine
CID 71303437
3-Chloro-5-(difluoromethoxy)pyridazine
CID 169175920
3-Chloro-5-(fluoromethoxy)pyridazine
CID 169177152
3-Chloro-5-(1,2,2-trifluoroethoxy)pyridazine
CID 175453516
3-Chloro-4-(difluoromethoxy)pyridazine
CID 178808688
3-Chloro-5-(2-fluoroethoxy)pyridazine
CID 71303462
3-Chloro-5-(3,3,3-trifluoropropoxy)pyridazine
CID 71303483
(3,6-Dichloropyridazin-4-yl) carbonochloridate
CID 17961950
Pyridazin-4-yl formate
CID 57129540
3-Chloro-5-cyclopropoxypyridazine
CID 71302952
3-Chloro-5-isopropoxypyridazine
CID 71302956

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-4-yl) formate?
The IUPAC name of (6-chloropyridazin-4-yl) formate (CID 135195989) is (6-chloropyridazin-4-yl) formate.
What is the SMILES notation for (6-chloropyridazin-4-yl) formate?
The canonical SMILES for (6-chloropyridazin-4-yl) formate is O=COc1cnnc(Cl)c1.
What is the InChIKey of (6-chloropyridazin-4-yl) formate?
The InChIKey is ZZUJHHUOUKUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2/c6-5-1-4(10-3-9)2-7-8-5/h1-3H.
What are the key properties of (6-chloropyridazin-4-yl) formate?
(6-chloropyridazin-4-yl) formate has a molecular weight of 158.54 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-4-yl) formate is sourced from PubChem (CID 135195989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).