3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine

C11H7Cl2FN2 — CID 6404599

IUPAC3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
SMILESFc1cccc(Cl)c1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H7Cl2FN2/c12-9-2-1-3-10(14)8(9)6-7-4-5-11(13)16-15-7/h1-5H,6H2
InChIKeyAGGJARUQBUNIGN-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.51
Rot. Bonds2

About 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine

3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine (PubChem CID 6404599) has the molecular formula C11H7Cl2FN2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
PubChem CID6404599
Molecular FormulaC11H7Cl2FN2
Molecular Weight257.10 g/mol
Exact Mass256.00
IUPAC Name3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
SMILESFc1cccc(Cl)c1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H7Cl2FN2/c12-9-2-1-3-10(14)8(9)6-7-4-5-11(13)16-15-7/h1-5H,6H2
InChIKeyAGGJARUQBUNIGN-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 167462330
CID 167462330
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771095
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 63022672
[5-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593104
3-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394879
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine
CID 174570408
5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
CID 143805437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine (CID 6404599) is 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine is Fc1cccc(Cl)c1Cc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine?
The InChIKey is AGGJARUQBUNIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2/c12-9-2-1-3-10(14)8(9)6-7-4-5-11(13)16-15-7/h1-5H,6H2.
What are the key properties of 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine?
3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine has a molecular weight of 257.10 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine is sourced from PubChem (CID 6404599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).