5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine

C8H6BrFN2 — CID 105486140

IUPAC5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2c(F)c(Br)cnc21
InChIInChI=1S/C8H6BrFN2/c1-12-3-2-5-7(10)6(9)4-11-8(5)12/h2-4H,1H3
InChIKeyVPJMDDPWIDXWPI-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.47
Rot. Bonds

About 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine

5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 105486140) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine
PubChem CID105486140
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2c(F)c(Br)cnc21
InChIInChI=1S/C8H6BrFN2/c1-12-3-2-5-7(10)6(9)4-11-8(5)12/h2-4H,1H3
InChIKeyVPJMDDPWIDXWPI-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine
CID 143151628
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
4-bromo-7-methylpyrrolo[2,3-c]pyridazine
CID 105465688
4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 118593207
3-bromo-4-fluoroquinoline
CID 130056268
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
[5-bromo-4-(ethylamino)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 146567905
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
CID 166005296
(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
CID 118798143
methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium
CID 170364581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine (CID 105486140) is 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine is Cn1ccc2c(F)c(Br)cnc21.
What is the InChIKey of 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is VPJMDDPWIDXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-12-3-2-5-7(10)6(9)4-11-8(5)12/h2-4H,1H3.
What are the key properties of 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine?
5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 229.05 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 105486140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).