2-butyl-1-methylpyrrolo[2,3-b]pyridine

C12H16N2 — CID 142666149

IUPAC2-butyl-1-methylpyrrolo[2,3-b]pyridine
SMILESCCCCc1cc2cccnc2n1C
InChIInChI=1S/C12H16N2/c1-3-4-7-11-9-10-6-5-8-13-12(10)14(11)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyQJEUTDMSBPAOQG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.92
Rot. Bonds3

About 2-butyl-1-methylpyrrolo[2,3-b]pyridine

2-butyl-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 142666149) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-butyl-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-butyl-1-methylpyrrolo[2,3-b]pyridine
PubChem CID142666149
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-butyl-1-methylpyrrolo[2,3-b]pyridine
SMILESCCCCc1cc2cccnc2n1C
InChIInChI=1S/C12H16N2/c1-3-4-7-11-9-10-6-5-8-13-12(10)14(11)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyQJEUTDMSBPAOQG-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-pentylpyrrolo[2,3-b]pyridin-4-amine
CID 175491909
3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one
CID 14941472
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide
CID 176950346
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
2,6-difluoro-4-(2-propylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile
CID 174254344
6-butylquinolin-8-ol
CID 130033187
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-hexadecanoyl-N-(3-methyl-2-sulfanylidene-1,8-naphthyridin-1-yl)hexadecanamide
CID 139622653
2-pentyl-1,8-naphthyridine
CID 11481079

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-butyl-1-methylpyrrolo[2,3-b]pyridine (CID 142666149) is 2-butyl-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-butyl-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-butyl-1-methylpyrrolo[2,3-b]pyridine is CCCCc1cc2cccnc2n1C.
What is the InChIKey of 2-butyl-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is QJEUTDMSBPAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-4-7-11-9-10-6-5-8-13-12(10)14(11)2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-1-methylpyrrolo[2,3-b]pyridine?
2-butyl-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 188.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142666149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).