2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile

C15H8Br2FN3O — CID 141190995

IUPAC2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESN#Cc1ncc(O)c2c(Br)c(Br)n(Cc3ccccc3F)c12
InChIInChI=1S/C15H8Br2FN3O/c16-13-12-11(22)6-20-10(5-19)14(12)21(15(13)17)7-8-3-1-2-4-9(8)18/h1-4,6,22H,7H2
InChIKeyONSKWEYFHKLOEW-UHFFFAOYSA-N
MW425.06 g/mol
LogP4.33
Rot. Bonds2

About 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile

2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile (PubChem CID 141190995) has the molecular formula C15H8Br2FN3O and a molecular weight of 425.06 g/mol. Its IUPAC name is 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
PubChem CID141190995
Molecular FormulaC15H8Br2FN3O
Molecular Weight425.06 g/mol
Exact Mass422.90
IUPAC Name2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESN#Cc1ncc(O)c2c(Br)c(Br)n(Cc3ccccc3F)c12
InChIInChI=1S/C15H8Br2FN3O/c16-13-12-11(22)6-20-10(5-19)14(12)21(15(13)17)7-8-3-1-2-4-9(8)18/h1-4,6,22H,7H2
InChIKeyONSKWEYFHKLOEW-UHFFFAOYSA-N
XLogP4.33
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.06
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,7-tribromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 87603740
2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
CID 141191031
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2-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]benzonitrile
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2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile (CID 141190995) is 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile is N#Cc1ncc(O)c2c(Br)c(Br)n(Cc3ccccc3F)c12.
What is the InChIKey of 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
The InChIKey is ONSKWEYFHKLOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2FN3O/c16-13-12-11(22)6-20-10(5-19)14(12)21(15(13)17)7-8-3-1-2-4-9(8)18/h1-4,6,22H,7H2.
What are the key properties of 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile has a molecular weight of 425.06 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 141190995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).