4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol

C7H3Cl2FN2O2 — CID 137098282

IUPAC4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol
SMILESOc1[nH]c(O)c2c(F)c(Cl)nc(Cl)c12
InChIInChI=1S/C7H3Cl2FN2O2/c8-4-2-1(3(10)5(9)11-4)6(13)12-7(2)14/h12-14H
InChIKeyFGFBPDFCWCPWSD-UHFFFAOYSA-N
MW237.02 g/mol
LogP2.42
Rot. Bonds

About 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol

4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol (PubChem CID 137098282) has the molecular formula C7H3Cl2FN2O2 and a molecular weight of 237.02 g/mol. Its IUPAC name is 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol.

Molecular Properties

Compound Name4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol
PubChem CID137098282
Molecular FormulaC7H3Cl2FN2O2
Molecular Weight237.02 g/mol
Exact Mass235.96
IUPAC Name4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol
SMILESOc1[nH]c(O)c2c(F)c(Cl)nc(Cl)c12
InChIInChI=1S/C7H3Cl2FN2O2/c8-4-2-1(3(10)5(9)11-4)6(13)12-7(2)14/h12-14H
InChIKeyFGFBPDFCWCPWSD-UHFFFAOYSA-N
XLogP2.42
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.02
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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]pyridin-3-ol
CID 137159263
2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
CID 137121898
4,5,7-trichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 168876777
2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
CID 54448923
2-bromo-6-chloro-3,4,5-trifluoropyridine
CID 119021724
1,4-dichloro-5,6,7,8-tetrafluorophthalazine
CID 166067248
4-chloro-2-fluoro-5-methyl-1H-imidazole
CID 138494865
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid
CID 172754486
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
CID 131502833

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol?
The IUPAC name of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol (CID 137098282) is 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol.
What is the SMILES notation for 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol?
The canonical SMILES for 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol is Oc1[nH]c(O)c2c(F)c(Cl)nc(Cl)c12.
What is the InChIKey of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol?
The InChIKey is FGFBPDFCWCPWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FN2O2/c8-4-2-1(3(10)5(9)11-4)6(13)12-7(2)14/h12-14H.
What are the key properties of 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol?
4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol has a molecular weight of 237.02 g/mol, XLogP of 2.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol is sourced from PubChem (CID 137098282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).