3-chloro-6-pyrrol-1-ylpyridazine

C8H6ClN3 — CID 12698865

IUPAC3-chloro-6-pyrrol-1-ylpyridazine
SMILESClc1ccc(-n2cccc2)nn1
InChIInChI=1S/C8H6ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h1-6H
InChIKeyLQIVORYEWIDSDK-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.92
Rot. Bonds1

About 3-chloro-6-pyrrol-1-ylpyridazine

3-chloro-6-pyrrol-1-ylpyridazine (PubChem CID 12698865) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 3-chloro-6-pyrrol-1-ylpyridazine.

Molecular Properties

Compound Name3-chloro-6-pyrrol-1-ylpyridazine
PubChem CID12698865
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name3-chloro-6-pyrrol-1-ylpyridazine
SMILESClc1ccc(-n2cccc2)nn1
InChIInChI=1S/C8H6ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h1-6H
InChIKeyLQIVORYEWIDSDK-UHFFFAOYSA-N
XLogP1.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-(1H-imidazol-1-yl)pyridazine
CID 2770903
Pyridazine, 3-hydrazino-6-(1-pyrrolyl)-, monohydrochloride
CID 3058913
3-chloro-6-(1H-pyrazol-1-yl)pyridazine
CID 12562845
N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine;hydrochloride
CID 49861052
3-Chloro-6-(4-iodo-1H-pyrazol-1-yl)pyridazine
CID 26369846
3-Chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
CID 64178461
3-Chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine
CID 90020915
3-Chloro-6-(2-methyl-1H-imidazol-1-YL)pyridazine
CID 12698872
3-Chloro-6-(2-ethylimidazol-1-yl)pyridazine
CID 12698873
6-Chloro-N-methyl-N-(1H-pyrrol-1-yl)-4-pyrimidinamine
CID 15158240
6-chloro-N-propyl-N-(1H-pyrrol-1-y)-4-pyrimidinamine
CID 15158245
6-(1H-Pyrrol-1-yl)pyridazin-3-amine
CID 20195934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-pyrrol-1-ylpyridazine?
The IUPAC name of 3-chloro-6-pyrrol-1-ylpyridazine (CID 12698865) is 3-chloro-6-pyrrol-1-ylpyridazine.
What is the SMILES notation for 3-chloro-6-pyrrol-1-ylpyridazine?
The canonical SMILES for 3-chloro-6-pyrrol-1-ylpyridazine is Clc1ccc(-n2cccc2)nn1.
What is the InChIKey of 3-chloro-6-pyrrol-1-ylpyridazine?
The InChIKey is LQIVORYEWIDSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h1-6H.
What are the key properties of 3-chloro-6-pyrrol-1-ylpyridazine?
3-chloro-6-pyrrol-1-ylpyridazine has a molecular weight of 179.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-pyrrol-1-ylpyridazine is sourced from PubChem (CID 12698865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).