5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine

C12H16N2O — CID 169298236

IUPAC5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1nc(C)c2[nH]ccc2c1C(C)C
InChIInChI=1S/C12H16N2O/c1-7(2)10-9-5-6-13-11(9)8(3)14-12(10)15-4/h5-7,13H,1-4H3
InChIKeyMWKRKFQVILSIKC-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.00
Rot. Bonds2

About 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine

5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 169298236) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID169298236
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1nc(C)c2[nH]ccc2c1C(C)C
InChIInChI=1S/C12H16N2O/c1-7(2)10-9-5-6-13-11(9)8(3)14-12(10)15-4/h5-7,13H,1-4H3
InChIKeyMWKRKFQVILSIKC-UHFFFAOYSA-N
XLogP3.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine (CID 169298236) is 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine is COc1nc(C)c2[nH]ccc2c1C(C)C.
What is the InChIKey of 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is MWKRKFQVILSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)10-9-5-6-13-11(9)8(3)14-12(10)15-4/h5-7,13H,1-4H3.
What are the key properties of 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 204.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 169298236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).