6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen

C12H18N2 — CID 143324121

IUPAC6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
SMILESCCC(C)Cc1ccc2cc[nH]c2n1.[H][H]
InChIInChI=1S/C12H16N2.H2/c1-3-9(2)8-11-5-4-10-6-7-13-12(10)14-11;/h4-7,9H,3,8H2,1-2H3,(H,13,14);1H
InChIKeyIHZQEBSOKDODRX-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.40
Rot. Bonds3

About 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen

6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen (PubChem CID 143324121) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
PubChem CID143324121
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
SMILESCCC(C)Cc1ccc2cc[nH]c2n1.[H][H]
InChIInChI=1S/C12H16N2.H2/c1-3-9(2)8-11-5-4-10-6-7-13-12(10)14-11;/h4-7,9H,3,8H2,1-2H3,(H,13,14);1H
InChIKeyIHZQEBSOKDODRX-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The IUPAC name of 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen (CID 143324121) is 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen.
What is the SMILES notation for 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The canonical SMILES for 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen is CCC(C)Cc1ccc2cc[nH]c2n1.[H][H].
What is the InChIKey of 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The InChIKey is IHZQEBSOKDODRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.H2/c1-3-9(2)8-11-5-4-10-6-7-13-12(10)14-11;/h4-7,9H,3,8H2,1-2H3,(H,13,14);1H.
What are the key properties of 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen has a molecular weight of 190.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutyl)-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen is sourced from PubChem (CID 143324121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).