4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol

C7H3Cl2FN2O — CID 137159263

IUPAC4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESOc1[nH]cc2c(F)c(Cl)nc(Cl)c12
InChIInChI=1S/C7H3Cl2FN2O/c8-5-3-2(1-11-7(3)13)4(10)6(9)12-5/h1,11,13H
InChIKeyRVDVYKZQUYQUTN-UHFFFAOYSA-N
MW221.02 g/mol
LogP2.71
Rot. Bonds

About 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol

4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137159263) has the molecular formula C7H3Cl2FN2O and a molecular weight of 221.02 g/mol. Its IUPAC name is 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID137159263
Molecular FormulaC7H3Cl2FN2O
Molecular Weight221.02 g/mol
Exact Mass219.96
IUPAC Name4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESOc1[nH]cc2c(F)c(Cl)nc(Cl)c12
InChIInChI=1S/C7H3Cl2FN2O/c8-5-3-2(1-11-7(3)13)4(10)6(9)12-5/h1,11,13H
InChIKeyRVDVYKZQUYQUTN-UHFFFAOYSA-N
XLogP2.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol
CID 137098282
4-amino-7-fluoro-2H-isoindol-1-ol
CID 91052579
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
CID 131502833
6-fluoro-7-methyl-2H-isoindol-1-ol
CID 90923682
4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137083284
4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 168876777
6-bromo-2,4-dichloro-5,8-difluoroquinazoline
CID 176948856
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
CID 137121898
2-bromo-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 170919643
2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
CID 54448923
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11506669

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol (CID 137159263) is 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol is Oc1[nH]cc2c(F)c(Cl)nc(Cl)c12.
What is the InChIKey of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is RVDVYKZQUYQUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FN2O/c8-5-3-2(1-11-7(3)13)4(10)6(9)12-5/h1,11,13H.
What are the key properties of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 221.02 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137159263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).