1-bromo-6-methyl-5H-cyclopenta[c]pyridine

C9H8BrN — CID 159729592

IUPAC1-bromo-6-methyl-5H-cyclopenta[c]pyridine
SMILESCC1=Cc2c(ccnc2Br)C1
InChIInChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(10)8(7)5-6/h2-3,5H,4H2,1H3
InChIKeyNBBMDDDGFZEGRJ-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.80
Rot. Bonds

About 1-bromo-6-methyl-5H-cyclopenta[c]pyridine

1-bromo-6-methyl-5H-cyclopenta[c]pyridine (PubChem CID 159729592) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 1-bromo-6-methyl-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-bromo-6-methyl-5H-cyclopenta[c]pyridine
PubChem CID159729592
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name1-bromo-6-methyl-5H-cyclopenta[c]pyridine
SMILESCC1=Cc2c(ccnc2Br)C1
InChIInChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(10)8(7)5-6/h2-3,5H,4H2,1H3
InChIKeyNBBMDDDGFZEGRJ-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-methyl-7H-cyclopenta[b]pyridine
CID 58146844
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4-ethyl-2-methyl-1H-indene;zirconium
CID 174371242
2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene
CID 140504811
2-bromo-3-methylpyridine;ethane
CID 143610978
2-bromo-3-methylpyridine;zinc
CID 87255964
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
2-bromo-4-iodo-3-methylpyridine
CID 119024752
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
CID 140504781
8-bromo-4H-2,7-naphthyridine-1,3-dione
CID 155579387

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methyl-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-bromo-6-methyl-5H-cyclopenta[c]pyridine (CID 159729592) is 1-bromo-6-methyl-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-bromo-6-methyl-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-bromo-6-methyl-5H-cyclopenta[c]pyridine is CC1=Cc2c(ccnc2Br)C1.
What is the InChIKey of 1-bromo-6-methyl-5H-cyclopenta[c]pyridine?
The InChIKey is NBBMDDDGFZEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(10)8(7)5-6/h2-3,5H,4H2,1H3.
What are the key properties of 1-bromo-6-methyl-5H-cyclopenta[c]pyridine?
1-bromo-6-methyl-5H-cyclopenta[c]pyridine has a molecular weight of 210.07 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methyl-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 159729592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).