3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine

C9H6BrF3N2 — CID 168858946

IUPAC3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
SMILESCn1cc(Br)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C9H6BrF3N2/c1-15-4-6(10)5-3-14-8(2-7(5)15)9(11,12)13/h2-4H,1H3
InChIKeyIZWBDRWZCUSGBA-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.35
Rot. Bonds

About 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine

3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine (PubChem CID 168858946) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
PubChem CID168858946
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
SMILESCn1cc(Br)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C9H6BrF3N2/c1-15-4-6(10)5-3-14-8(2-7(5)15)9(11,12)13/h2-4H,1H3
InChIKeyIZWBDRWZCUSGBA-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 91757612
3-bromo-1-methylindole
CID 13357736
3-bromo-6-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
CID 119081498
6-bromo-3-(1,1-difluoroethyl)-1-methylindole
CID 84713699
3-bromo-6-fluoro-1-methylpyrrolo[3,2-b]pyridine
CID 135395861
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
CID 130893901
1-(3-bromo-1-methylindol-6-yl)-N-methylmethanamine
CID 83900734
2-(3-bromo-1-methylindol-6-yl)acetaldehyde
CID 83900513
3-bromo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
CID 121232095
1-(3-bromo-1-methylpyrrolo[2,3-b]pyridin-5-yl)ethanol
CID 147133696
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine
CID 175968743
8-propan-2-yl-3-(trifluoromethyl)isoquinoline
CID 176986033

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine (CID 168858946) is 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine is Cn1cc(Br)c2cnc(C(F)(F)F)cc21.
What is the InChIKey of 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is IZWBDRWZCUSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c1-15-4-6(10)5-3-14-8(2-7(5)15)9(11,12)13/h2-4H,1H3.
What are the key properties of 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine?
3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 279.06 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 168858946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).