3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine

C8H6BrFN2 — CID 135395861

IUPAC3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine
SMILESCn1cc(Br)c2ncc(F)cc21
InChIInChI=1S/C8H6BrFN2/c1-12-4-6(9)8-7(12)2-5(10)3-11-8/h2-4H,1H3
InChIKeyKCXREODXTGMVQU-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.47
Rot. Bonds

About 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine

3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine (PubChem CID 135395861) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine
PubChem CID135395861
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine
SMILESCn1cc(Br)c2ncc(F)cc21
InChIInChI=1S/C8H6BrFN2/c1-12-4-6(9)8-7(12)2-5(10)3-11-8/h2-4H,1H3
InChIKeyKCXREODXTGMVQU-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

6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 135394809
3-fluoro-1-methyl-6-propan-2-ylpyrrolo[3,2-b]pyridine
CID 176703130
4-bromo-1,6-dimethylbenzimidazole
CID 68775248
3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 168858946
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
CID 155463702
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447
6-chloro-1,3-dimethylpyrrolo[3,2-b]pyridine
CID 137347339
3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine
CID 133055733
7-bromo-3,6-difluoroquinoline
CID 162381108
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 154727553
3,4-dibromo-6-fluoro-8-methylquinoline
CID 114763946
3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 163253956

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine (CID 135395861) is 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine is Cn1cc(Br)c2ncc(F)cc21.
What is the InChIKey of 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine?
The InChIKey is KCXREODXTGMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-12-4-6(9)8-7(12)2-5(10)3-11-8/h2-4H,1H3.
What are the key properties of 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine?
3-bromo-6-fluoro-1-methylpyrrolo[3,2-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 3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 135395861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).