N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline

C12H11ClFN3 — CID 104513675

IUPACN-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFN3/c1-17(11-5-2-9(14)3-6-11)8-10-4-7-12(13)16-15-10/h2-7H,8H2,1H3
InChIKeyUKEWKUUXMLPVJT-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.91
Rot. Bonds3

About N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline

N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline (PubChem CID 104513675) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline
PubChem CID104513675
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFN3/c1-17(11-5-2-9(14)3-6-11)8-10-4-7-12(13)16-15-10/h2-7H,8H2,1H3
InChIKeyUKEWKUUXMLPVJT-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
CID 15124549
3-Chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazine
CID 15124590
(E)-N-[(6-chloro-4-ethylpyridazin-3-yl)methyl]-1-(2,3-difluorophenyl)-N-[(Z)-prop-1-enyl]but-1-en-1-amine
CID 142879977
(E)-N-[(6-chloro-4-ethylpyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-[(Z)-prop-1-enyl]but-1-en-1-amine
CID 142880007
(E)-1-(3-chloro-2,6-difluorophenyl)-N-[(6-chloro-4-ethylpyridazin-3-yl)methyl]-N-[(Z)-prop-1-enyl]but-1-en-1-amine
CID 142880012
3-Chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyridazine
CID 176238796
3-Chloro-6-[(3,3-difluoroazetidin-1-yl)methyl]pyridazine
CID 176238920
3-Chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine
CID 178171423
3,6-Dichloro-4-(4-phenylpiperazin-1-yl)pyridazine
CID 3124956
2,5-dichloro-triazinyl-(N,N-diethylamino-)benzene
CID 129731763
3-Chloro-6-[4-(3-fluorophenyl)piperazin-1-yl]pyridazine
CID 15124572
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
CID 55127157

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline (CID 104513675) is N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline is CN(Cc1ccc(Cl)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline?
The InChIKey is UKEWKUUXMLPVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-17(11-5-2-9(14)3-6-11)8-10-4-7-12(13)16-15-10/h2-7H,8H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline?
N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline has a molecular weight of 251.69 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 104513675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).