3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine

C10H11ClFN3 — CID 126830546

IUPAC3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine
SMILESFC1=CCCN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C10H11ClFN3/c11-10-4-3-9(13-14-10)7-15-5-1-2-8(12)6-15/h2-4H,1,5-7H2
InChIKeyIDIBFKXCDZALDW-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.19
Rot. Bonds2

About 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine

3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine (PubChem CID 126830546) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine
PubChem CID126830546
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine
SMILESFC1=CCCN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C10H11ClFN3/c11-10-4-3-9(13-14-10)7-15-5-1-2-8(12)6-15/h2-4H,1,5-7H2
InChIKeyIDIBFKXCDZALDW-UHFFFAOYSA-N
XLogP2.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104513452
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3-[(4-benzylpiperazin-1-yl)methyl]-6-chloropyridazine
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3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
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3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
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5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
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(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
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3-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridine
CID 126767410
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
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1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
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1-[4-[(6-chloropyridazin-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 113421318

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine (CID 126830546) is 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine is FC1=CCCN(Cc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine?
The InChIKey is IDIBFKXCDZALDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-10-4-3-9(13-14-10)7-15-5-1-2-8(12)6-15/h2-4H,1,5-7H2.
What are the key properties of 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine?
3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine has a molecular weight of 227.67 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine is sourced from PubChem (CID 126830546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).