ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine

C10H13FN2 — CID 142309193

IUPACethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC.Cc1cc2ccc(F)nc2[nH]1
InChIInChI=1S/C8H7FN2.C2H6/c1-5-4-6-2-3-7(9)11-8(6)10-5;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyMVVKPJHKDZWLPJ-UHFFFAOYSA-N
MW180.23 g/mol
LogP3.04
Rot. Bonds

About ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine

ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142309193) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID142309193
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nameethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC.Cc1cc2ccc(F)nc2[nH]1
InChIInChI=1S/C8H7FN2.C2H6/c1-5-4-6-2-3-7(9)11-8(6)10-5;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyMVVKPJHKDZWLPJ-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 142309193) is ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine is CC.Cc1cc2ccc(F)nc2[nH]1.
What is the InChIKey of ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVVKPJHKDZWLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.C2H6/c1-5-4-6-2-3-7(9)11-8(6)10-5;1-2/h2-4H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 180.23 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142309193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).