3-chloropyridazine

C4H3ClN2 — CID 11274989

IUPAC3-chloropyridazine
SMILESClc1cccnn1
InChIInChI=1S/C4H3ClN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKeyIBWYHNOFSKJKKY-UHFFFAOYSA-N
MW114.53 g/mol
LogP1.13
Rot. Bonds

About 3-chloropyridazine

3-chloropyridazine (PubChem CID 11274989) has the molecular formula C4H3ClN2 and a molecular weight of 114.53 g/mol. Its IUPAC name is 3-chloropyridazine.

Molecular Properties

Compound Name3-chloropyridazine
PubChem CID11274989
Molecular FormulaC4H3ClN2
Molecular Weight114.53 g/mol
Exact Mass114.00
IUPAC Name3-chloropyridazine
SMILESClc1cccnn1
InChIInChI=1S/C4H3ClN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKeyIBWYHNOFSKJKKY-UHFFFAOYSA-N
XLogP1.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.53
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridazine
CID 9259
3,6-Dichloropyridazine
CID 67331
3,4,5-Trichloropyridazine
CID 70111
3,4-Dichloropyridazine
CID 252150
3-Iodopyridazine
CID 11298682
3-Chloro-6-fluoropyridazine
CID 11423620
3-Chloropyridazine-4-carbonitrile
CID 12370972
3-Chloro-4-methylpyridazine
CID 12440084
3-Fluoropyridazine
CID 18987697
3,5-Dichloropyridazine
CID 19959687
3-Chloro-6-iodopyridazine
CID 15418839
3-Chloro-5-methylpyridazine
CID 21766140

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridazine?
The IUPAC name of 3-chloropyridazine (CID 11274989) is 3-chloropyridazine.
What is the SMILES notation for 3-chloropyridazine?
The canonical SMILES for 3-chloropyridazine is Clc1cccnn1.
What is the InChIKey of 3-chloropyridazine?
The InChIKey is IBWYHNOFSKJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2/c5-4-2-1-3-6-7-4/h1-3H.
What are the key properties of 3-chloropyridazine?
3-chloropyridazine has a molecular weight of 114.53 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridazine is sourced from PubChem (CID 11274989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).