2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine

C47H37BrCl2F2N12O2 — CID 158943965

IUPAC2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(-c2ccccc2)c(N)nn1.Nc1nnc(-c2c(O)cccc2F)cc1-c1ccccc1.Nc1nnc(Cl)cc1-c1ccccc1.Nc1nnc(Cl)cc1Br
InChIInChI=1S/C17H14FN3O.C16H12FN3O.C10H8ClN3.C4H3BrClN3/c1-22-15-9-5-8-13(18)16(15)14-10-12(17(19)21-20-14)11-6-3-2-4-7-11;17-12-7-4-8-14(21)15(12)13-9-11(16(18)20-19-13)10-5-2-1-3-6-10;11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7;5-2-1-3(6)8-9-4(2)7/h2-10H,1H3,(H2,19,21);1-9,21H,(H2,18,20);1-6H,(H2,12,14);1H,(H2,7,9)
InChIKeyJKPCGJAAMZTFFS-UHFFFAOYSA-N
MW990.70 g/mol
LogP10.63
Rot. Bonds6

About 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine

2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine (PubChem CID 158943965) has the molecular formula C47H37BrCl2F2N12O2 and a molecular weight of 990.70 g/mol. Its IUPAC name is 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine.

Molecular Properties

Compound Name2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine
PubChem CID158943965
Molecular FormulaC47H37BrCl2F2N12O2
Molecular Weight990.70 g/mol
Exact Mass988.17
IUPAC Name2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(-c2ccccc2)c(N)nn1.Nc1nnc(-c2c(O)cccc2F)cc1-c1ccccc1.Nc1nnc(Cl)cc1-c1ccccc1.Nc1nnc(Cl)cc1Br
InChIInChI=1S/C17H14FN3O.C16H12FN3O.C10H8ClN3.C4H3BrClN3/c1-22-15-9-5-8-13(18)16(15)14-10-12(17(19)21-20-14)11-6-3-2-4-7-11;17-12-7-4-8-14(21)15(12)13-9-11(16(18)20-19-13)10-5-2-1-3-6-10;11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7;5-2-1-3(6)8-9-4(2)7/h2-10H,1H3,(H2,19,21);1-9,21H,(H2,18,20);1-6H,(H2,12,14);1H,(H2,7,9)
InChIKeyJKPCGJAAMZTFFS-UHFFFAOYSA-N
XLogP10.63
TPSA236.66 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.70
LogP ≤ 510.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine with MolForge

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Related Compounds

2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine
CID 161202830
1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
CID 161298518
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
CID 118507663
5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
CID 134329207
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-fluoro-4-(2-methoxyphenyl)phenol
CID 53219298
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478
4-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 168988816
3-fluoro-2-[2-(2-methoxyphenyl)-4-phenylphenyl]aniline
CID 145327050
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine?
The IUPAC name of 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine (CID 158943965) is 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine.
What is the SMILES notation for 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine?
The canonical SMILES for 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine is COc1cccc(F)c1-c1cc(-c2ccccc2)c(N)nn1.Nc1nnc(-c2c(O)cccc2F)cc1-c1ccccc1.Nc1nnc(Cl)cc1-c1ccccc1.Nc1nnc(Cl)cc1Br.
What is the InChIKey of 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine?
The InChIKey is JKPCGJAAMZTFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O.C16H12FN3O.C10H8ClN3.C4H3BrClN3/c1-22-15-9-5-8-13(18)16(15)14-10-12(17(19)21-20-14)11-6-3-2-4-7-11;17-12-7-4-8-14(21)15(12)13-9-11(16(18)20-19-13)10-5-2-1-3-6-10;11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7;5-2-1-3(6)8-9-4(2)7/h2-10H,1H3,(H2,19,21);1-9,21H,(H2,18,20);1-6H,(H2,12,14);1H,(H2,7,9).
What are the key properties of 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine?
2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine has a molecular weight of 990.70 g/mol, XLogP of 10.63, 6 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-phenylpyridazin-3-yl)-3-fluorophenol;4-bromo-6-chloropyridazin-3-amine;6-chloro-4-phenylpyridazin-3-amine;6-(2-fluoro-6-methoxyphenyl)-4-phenylpyridazin-3-amine is sourced from PubChem (CID 158943965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).