1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol

C18H13Cl2N3O2 — CID 91469465

IUPAC1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-n1c(O)ccc1O
InChIInChI=1S/C18H13Cl2N3O2/c1-22-18(23-15(24)7-8-16(23)25)13-4-2-3-12(17(13)21-22)11-6-5-10(19)9-14(11)20/h2-9,24-25H,1H3
InChIKeyHDSQJWZDIUFYJZ-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.75
Rot. Bonds2

About 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol

1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol (PubChem CID 91469465) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol
PubChem CID91469465
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-n1c(O)ccc1O
InChIInChI=1S/C18H13Cl2N3O2/c1-22-18(23-15(24)7-8-16(23)25)13-4-2-3-12(17(13)21-22)11-6-5-10(19)9-14(11)20/h2-9,24-25H,1H3
InChIKeyHDSQJWZDIUFYJZ-UHFFFAOYSA-N
XLogP4.75
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
CID 59702374
7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
CID 59702308
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
CID 68615025
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate
CID 68614157
7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
CID 157157508
7-(2,4-dichlorophenyl)-2-methyl-N-propylindazol-3-amine;hydrochloride
CID 172740552
1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione
CID 143553940
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
CID 58988229
2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole
CID 58988236
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine
CID 89129673
ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate
CID 58988264
4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine
CID 21094603

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol?
The IUPAC name of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol (CID 91469465) is 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol?
The canonical SMILES for 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-n1c(O)ccc1O.
What is the InChIKey of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol?
The InChIKey is HDSQJWZDIUFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-22-18(23-15(24)7-8-16(23)25)13-4-2-3-12(17(13)21-22)11-6-5-10(19)9-14(11)20/h2-9,24-25H,1H3.
What are the key properties of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol?
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol has a molecular weight of 374.23 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol is sourced from PubChem (CID 91469465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).