7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde

C16H12BrFN2O3 — CID 166162115

IUPAC7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
SMILESCOc1cccc(F)c1-c1[nH]c2c(Br)c(OC)ncc2c1C=O
InChIInChI=1S/C16H12BrFN2O3/c1-22-11-5-3-4-10(18)12(11)14-9(7-21)8-6-19-16(23-2)13(17)15(8)20-14/h3-7,20H,1-2H3
InChIKeyHOFBMZPRQCPFLJ-UHFFFAOYSA-N
MW379.19 g/mol
LogP3.96
Rot. Bonds4

About 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde

7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde (PubChem CID 166162115) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
PubChem CID166162115
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
SMILESCOc1cccc(F)c1-c1[nH]c2c(Br)c(OC)ncc2c1C=O
InChIInChI=1S/C16H12BrFN2O3/c1-22-11-5-3-4-10(18)12(11)14-9(7-21)8-6-19-16(23-2)13(17)15(8)20-14/h3-7,20H,1-2H3
InChIKeyHOFBMZPRQCPFLJ-UHFFFAOYSA-N
XLogP3.96
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?
The IUPAC name of 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde (CID 166162115) is 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde is COc1cccc(F)c1-c1[nH]c2c(Br)c(OC)ncc2c1C=O.
What is the InChIKey of 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?
The InChIKey is HOFBMZPRQCPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c1-22-11-5-3-4-10(18)12(11)14-9(7-21)8-6-19-16(23-2)13(17)15(8)20-14/h3-7,20H,1-2H3.
What are the key properties of 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?
7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde has a molecular weight of 379.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-fluoro-6-methoxyphenyl)-6-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 166162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).