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

C14H9ClF2N2O — CID 145024216

IUPAC6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESCc1cc(F)c(-c2nc3cc(O)[nH]c3cc2Cl)c(F)c1
InChIInChI=1S/C14H9ClF2N2O/c1-6-2-8(16)13(9(17)3-6)14-7(15)4-10-11(19-14)5-12(20)18-10/h2-5,18,20H,1H3
InChIKeyNIIDVCZVWDJRQL-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.18
Rot. Bonds1

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

6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol (PubChem CID 145024216) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol.

Molecular Properties

Compound Name6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
PubChem CID145024216
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESCc1cc(F)c(-c2nc3cc(O)[nH]c3cc2Cl)c(F)c1
InChIInChI=1S/C14H9ClF2N2O/c1-6-2-8(16)13(9(17)3-6)14-7(15)4-10-11(19-14)5-12(20)18-10/h2-5,18,20H,1H3
InChIKeyNIIDVCZVWDJRQL-UHFFFAOYSA-N
XLogP4.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 4190125
(3E)-1H-indole-2,3-dione 3-[(4-chloro-2,3,5,6-tetrafluorophenyl)hydrazone]
CID 3533047
3-[2-(3-Chlorophenyl)hydrazinyl]indol-2-one
CID 3901929
Indole-2, 3-[(o-chlorophenyl)hydrazone]
CID 272589
(3E)-3-[2-(3-Chloro-4-fluorophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one
CID 4519995
6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 86726292
6-chloro-2-(3-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 86728240
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
7-(2-chloro-4-iodoanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol
CID 90956586
6-chloro-2-(4-fluoro-1H-indol-2-yl)-5-methylpyridin-3-ol
CID 123153518
[6-chloro-5-(2,6-difluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl] hypofluorite
CID 130181438
3-(2-fluorophenyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 136644818

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The IUPAC name of 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol (CID 145024216) is 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol.
What is the SMILES notation for 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The canonical SMILES for 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol is Cc1cc(F)c(-c2nc3cc(O)[nH]c3cc2Cl)c(F)c1.
What is the InChIKey of 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
The InChIKey is NIIDVCZVWDJRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c1-6-2-8(16)13(9(17)3-6)14-7(15)4-10-11(19-14)5-12(20)18-10/h2-5,18,20H,1H3.
What are the key properties of 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol?
6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol has a molecular weight of 294.69 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,6-difluoro-4-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-ol is sourced from PubChem (CID 145024216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).