5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen

C8H9BrN2 — CID 158028586

IUPAC5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen
SMILESCc1c[nH]c2cnc(Br)cc12.[H][H]
InChIInChI=1S/C8H7BrN2.H2/c1-5-3-10-7-4-11-8(9)2-6(5)7;/h2-4,10H,1H3;1H
InChIKeyFGXBZGIYDVKMMT-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.88
Rot. Bonds

About 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen

5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen (PubChem CID 158028586) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen.

Molecular Properties

Compound Name5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen
PubChem CID158028586
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen
SMILESCc1c[nH]c2cnc(Br)cc12.[H][H]
InChIInChI=1S/C8H7BrN2.H2/c1-5-3-10-7-4-11-8(9)2-6(5)7;/h2-4,10H,1H3;1H
InChIKeyFGXBZGIYDVKMMT-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.88
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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Related Compounds

5-bromo-6-fluoro-3-methyl-1H-indole
CID 118084336
6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 144813636
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
2,4-dibromo-5-methylpyridine
CID 12643719
3,5-dimethyl-1H-indole
CID 142943492
(6-bromo-4-methyl-3-pyridinyl)-trimethylsilane
CID 140774579
5-ethoxy-3-methyl-1H-indole
CID 82490542
4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine
CID 138719097
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
N,N,3,6-tetramethyl-1H-indol-5-amine
CID 90852346
2-bromo-5-chloro-4-methylpyridine;ethane
CID 144611479
2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123539865

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen?
The IUPAC name of 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen (CID 158028586) is 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen.
What is the SMILES notation for 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen?
The canonical SMILES for 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen is Cc1c[nH]c2cnc(Br)cc12.[H][H].
What is the InChIKey of 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen?
The InChIKey is FGXBZGIYDVKMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2.H2/c1-5-3-10-7-4-11-8(9)2-6(5)7;/h2-4,10H,1H3;1H.
What are the key properties of 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen?
5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen has a molecular weight of 213.08 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen is sourced from PubChem (CID 158028586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).