[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol

C19H17F3N2O2 — CID 141095991

IUPAC[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
SMILESCOc1ccc(C2=CC(CO)=CN(Cc3ccc(F)c(F)c3)N2)cc1F
InChIInChI=1S/C19H17F3N2O2/c1-26-19-5-3-14(8-17(19)22)18-7-13(11-25)10-24(23-18)9-12-2-4-15(20)16(21)6-12/h2-8,10,23,25H,9,11H2,1H3
InChIKeyRSXNJWFQZPWQHX-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.35
Rot. Bonds5

About [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol

[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol (PubChem CID 141095991) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
PubChem CID141095991
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
SMILESCOc1ccc(C2=CC(CO)=CN(Cc3ccc(F)c(F)c3)N2)cc1F
InChIInChI=1S/C19H17F3N2O2/c1-26-19-5-3-14(8-17(19)22)18-7-13(11-25)10-24(23-18)9-12-2-4-15(20)16(21)6-12/h2-8,10,23,25H,9,11H2,1H3
InChIKeyRSXNJWFQZPWQHX-UHFFFAOYSA-N
XLogP3.35
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol with MolForge

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Related Compounds

[2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
CID 141096006
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine
CID 141064921
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine
CID 141064904
1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
CID 162627048
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 82357186
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol?
The IUPAC name of [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol (CID 141095991) is [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol.
What is the SMILES notation for [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol?
The canonical SMILES for [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol is COc1ccc(C2=CC(CO)=CN(Cc3ccc(F)c(F)c3)N2)cc1F.
What is the InChIKey of [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol?
The InChIKey is RSXNJWFQZPWQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-26-19-5-3-14(8-17(19)22)18-7-13(11-25)10-24(23-18)9-12-2-4-15(20)16(21)6-12/h2-8,10,23,25H,9,11H2,1H3.
What are the key properties of [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol?
[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol has a molecular weight of 362.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol is sourced from PubChem (CID 141095991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).