ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine

C12H20N2 — CID 143713533

IUPACethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCC.CC.Cc1c[nH]c2ccncc12
InChIInChI=1S/C8H8N2.2C2H6/c1-6-4-10-8-2-3-9-5-7(6)8;2*1-2/h2-5,10H,1H3;2*1-2H3
InChIKeyHETLKLLJHORZID-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.92
Rot. Bonds

About ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine

ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 143713533) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID143713533
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCC.CC.Cc1c[nH]c2ccncc12
InChIInChI=1S/C8H8N2.2C2H6/c1-6-4-10-8-2-3-9-5-7(6)8;2*1-2/h2-5,10H,1H3;2*1-2H3
InChIKeyHETLKLLJHORZID-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine (CID 143713533) is ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine is CC.CC.Cc1c[nH]c2ccncc12.
What is the InChIKey of ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is HETLKLLJHORZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.2C2H6/c1-6-4-10-8-2-3-9-5-7(6)8;2*1-2/h2-5,10H,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine?
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 192.31 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 143713533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).