7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

C10H8BrN3O — CID 166162066

IUPAC7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ncc2c(C#N)c(C)[nH]c2c1Br
InChIInChI=1S/C10H8BrN3O/c1-5-6(3-12)7-4-13-10(15-2)8(11)9(7)14-5/h4,14H,1-2H3
InChIKeyWTTRXXOHVXCMDX-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.51
Rot. Bonds1

About 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 166162066) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID166162066
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ncc2c(C#N)c(C)[nH]c2c1Br
InChIInChI=1S/C10H8BrN3O/c1-5-6(3-12)7-4-13-10(15-2)8(11)9(7)14-5/h4,14H,1-2H3
InChIKeyWTTRXXOHVXCMDX-UHFFFAOYSA-N
XLogP2.51
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 166162066) is 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile is COc1ncc2c(C#N)c(C)[nH]c2c1Br.
What is the InChIKey of 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is WTTRXXOHVXCMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c1-5-6(3-12)7-4-13-10(15-2)8(11)9(7)14-5/h4,14H,1-2H3.
What are the key properties of 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 266.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166162066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).