4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol

C16H13Cl2FN2O3 — CID 137061468

IUPAC4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol
SMILESCOc1ccc(Cn2cc3c(F)c(Cl)nc(Cl)c3c2O)c(OC)c1
InChIInChI=1S/C16H13Cl2FN2O3/c1-23-9-4-3-8(11(5-9)24-2)6-21-7-10-12(16(21)22)14(17)20-15(18)13(10)19/h3-5,7,22H,6H2,1-2H3
InChIKeyAEUKSLKHDHNZBF-UHFFFAOYSA-N
MW371.20 g/mol
LogP4.25
Rot. Bonds4

About 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol

4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137061468) has the molecular formula C16H13Cl2FN2O3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol
PubChem CID137061468
Molecular FormulaC16H13Cl2FN2O3
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC Name4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol
SMILESCOc1ccc(Cn2cc3c(F)c(Cl)nc(Cl)c3c2O)c(OC)c1
InChIInChI=1S/C16H13Cl2FN2O3/c1-23-9-4-3-8(11(5-9)24-2)6-21-7-10-12(16(21)22)14(17)20-15(18)13(10)19/h3-5,7,22H,6H2,1-2H3
InChIKeyAEUKSLKHDHNZBF-UHFFFAOYSA-N
XLogP4.25
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,7-Dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90893382
4-Chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)pyrrolo[3,4-b]pyridin-5-ol
CID 137031394
4-Chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137047883
4-Chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137060658
4,6-Dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol
CID 137098274
4-Chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137099292
4-[4-Chloro-6-[(2,4-dimethoxyphenyl)methyl]-5-hydroxypyrrolo[3,4-b]pyridin-2-yl]-3,5-difluorobenzonitrile
CID 137120384
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol
CID 137139780
4-Chloro-2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137151034
4,6-Dichloro-7-fluoro-2-[[2-(hydroxymethyl)-4-methoxyphenyl]methyl]pyrrolo[3,4-c]pyridin-3-ol
CID 137153287
4-Chloro-2-(2-chloro-6-fluorophenyl)-6-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137167166
4,6-Dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301468

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol (CID 137061468) is 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol is COc1ccc(Cn2cc3c(F)c(Cl)nc(Cl)c3c2O)c(OC)c1.
What is the InChIKey of 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is AEUKSLKHDHNZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O3/c1-23-9-4-3-8(11(5-9)24-2)6-21-7-10-12(16(21)22)14(17)20-15(18)13(10)19/h3-5,7,22H,6H2,1-2H3.
What are the key properties of 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol?
4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 371.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137061468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).