2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine

C12H20N2 — CID 164902226

IUPAC2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine
SMILESCCC(C)C.[H][H].c1cc2cc[nH]c2cn1
InChIInChI=1S/C7H6N2.C5H12.H2/c1-3-8-5-7-6(1)2-4-9-7;1-4-5(2)3;/h1-5,9H;5H,4H2,1-3H3;1H
InChIKeySDATZHRYHRGBOY-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.86
Rot. Bonds1

About 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine

2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine (PubChem CID 164902226) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine
PubChem CID164902226
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine
SMILESCCC(C)C.[H][H].c1cc2cc[nH]c2cn1
InChIInChI=1S/C7H6N2.C5H12.H2/c1-3-8-5-7-6(1)2-4-9-7;1-4-5(2)3;/h1-5,9H;5H,4H2,1-3H3;1H
InChIKeySDATZHRYHRGBOY-UHFFFAOYSA-N
XLogP3.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine (CID 164902226) is 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine is CCC(C)C.[H][H].c1cc2cc[nH]c2cn1.
What is the InChIKey of 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine?
The InChIKey is SDATZHRYHRGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C5H12.H2/c1-3-8-5-7-6(1)2-4-9-7;1-4-5(2)3;/h1-5,9H;5H,4H2,1-3H3;1H.
What are the key properties of 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine?
2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine has a molecular weight of 192.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;molecular hydrogen;1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164902226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).