3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol

C14H8Cl2F2N2O — CID 145024142

IUPAC3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESCc1cc(F)c(-c2nc3c(Cl)c(O)[nH]c3cc2Cl)c(F)c1
InChIInChI=1S/C14H8Cl2F2N2O/c1-5-2-7(17)10(8(18)3-5)12-6(15)4-9-13(20-12)11(16)14(21)19-9/h2-4,19,21H,1H3
InChIKeyJXAIZKWUFJGUHU-UHFFFAOYSA-N
MW329.13 g/mol
LogP4.83
Rot. Bonds1

About 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol

3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol (PubChem CID 145024142) has the molecular formula C14H8Cl2F2N2O and a molecular weight of 329.13 g/mol. Its IUPAC name is 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol.

Molecular Properties

Compound Name3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
PubChem CID145024142
Molecular FormulaC14H8Cl2F2N2O
Molecular Weight329.13 g/mol
Exact Mass328.00
IUPAC Name3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESCc1cc(F)c(-c2nc3c(Cl)c(O)[nH]c3cc2Cl)c(F)c1
InChIInChI=1S/C14H8Cl2F2N2O/c1-5-2-7(17)10(8(18)3-5)12-6(15)4-9-13(20-12)11(16)14(21)19-9/h2-4,19,21H,1H3
InChIKeyJXAIZKWUFJGUHU-UHFFFAOYSA-N
XLogP4.83
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol with MolForge

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Related Compounds

(3E)-3-[2-(3-Chloro-4-fluorophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one
CID 4519995
5-[4-(2,6-difluorophenyl)phenyl]-2-hydroxy-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 137220483
5-[4-(4-aminophenyl)phenyl]-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 137383088
6-fluoro-5-phenyl-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 137383313
5-[4-(3,6-dihydro-2H-pyran-4-yl)-2,6-difluorophenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 144691135
6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 145357825
3-[(3-chlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 135730472
3-[(2-chlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 135775302
3-[(4-chlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 135824369
3-[(4-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol
CID 135836749
3-[(2-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol
CID 135836796
3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol
CID 135836806

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The IUPAC name of 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol (CID 145024142) is 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol.
What is the SMILES notation for 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The canonical SMILES for 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol is Cc1cc(F)c(-c2nc3c(Cl)c(O)[nH]c3cc2Cl)c(F)c1.
What is the InChIKey of 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The InChIKey is JXAIZKWUFJGUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2O/c1-5-2-7(17)10(8(18)3-5)12-6(15)4-9-13(20-12)11(16)14(21)19-9/h2-4,19,21H,1H3.
What are the key properties of 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol has a molecular weight of 329.13 g/mol, XLogP of 4.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol is sourced from PubChem (CID 145024142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).