3-[4-(bromomethyl)phenyl]-6-chloropyridazine

C11H8BrClN2 — CID 139833928

IUPAC3-[4-(bromomethyl)phenyl]-6-chloropyridazine
SMILESClc1ccc(-c2ccc(CBr)cc2)nn1
InChIInChI=1S/C11H8BrClN2/c12-7-8-1-3-9(4-2-8)10-5-6-11(13)15-14-10/h1-6H,7H2
InChIKeyNLQBUTDFFAJJJH-UHFFFAOYSA-N
MW283.56 g/mol
LogP3.69
Rot. Bonds2

About 3-[4-(bromomethyl)phenyl]-6-chloropyridazine

3-[4-(bromomethyl)phenyl]-6-chloropyridazine (PubChem CID 139833928) has the molecular formula C11H8BrClN2 and a molecular weight of 283.56 g/mol. Its IUPAC name is 3-[4-(bromomethyl)phenyl]-6-chloropyridazine.

Molecular Properties

Compound Name3-[4-(bromomethyl)phenyl]-6-chloropyridazine
PubChem CID139833928
Molecular FormulaC11H8BrClN2
Molecular Weight283.56 g/mol
Exact Mass281.96
IUPAC Name3-[4-(bromomethyl)phenyl]-6-chloropyridazine
SMILESClc1ccc(-c2ccc(CBr)cc2)nn1
InChIInChI=1S/C11H8BrClN2/c12-7-8-1-3-9(4-2-8)10-5-6-11(13)15-14-10/h1-6H,7H2
InChIKeyNLQBUTDFFAJJJH-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
3-(4-butylsulfanylphenyl)-6-chloropyridazine
CID 87285911
(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol
CID 58034225
2,2-dichloro-N-[1-[4-(6-chloropyridazin-3-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide
CID 23570506
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 43936867
2-[6-(6-chloropyridazin-3-yl)naphthalen-2-yl]ethyl methanesulfonate
CID 87270576
3-(6-chloropyridazin-3-yl)aniline
CID 14280295
3-(6-chloropyridazin-3-yl)benzene-1,2-diamine
CID 146172996
1-(bromomethyl)-4-[(1R,2S)-1,2-dibromo-2-[4-(bromomethyl)phenyl]ethyl]benzene
CID 98159586
1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
CID 5064576

Frequently Asked Questions

What is the IUPAC name of 3-[4-(bromomethyl)phenyl]-6-chloropyridazine?
The IUPAC name of 3-[4-(bromomethyl)phenyl]-6-chloropyridazine (CID 139833928) is 3-[4-(bromomethyl)phenyl]-6-chloropyridazine.
What is the SMILES notation for 3-[4-(bromomethyl)phenyl]-6-chloropyridazine?
The canonical SMILES for 3-[4-(bromomethyl)phenyl]-6-chloropyridazine is Clc1ccc(-c2ccc(CBr)cc2)nn1.
What is the InChIKey of 3-[4-(bromomethyl)phenyl]-6-chloropyridazine?
The InChIKey is NLQBUTDFFAJJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2/c12-7-8-1-3-9(4-2-8)10-5-6-11(13)15-14-10/h1-6H,7H2.
What are the key properties of 3-[4-(bromomethyl)phenyl]-6-chloropyridazine?
3-[4-(bromomethyl)phenyl]-6-chloropyridazine has a molecular weight of 283.56 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(bromomethyl)phenyl]-6-chloropyridazine is sourced from PubChem (CID 139833928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).