3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C9H6ClF3N2 — CID 133058620

IUPAC3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(Cl)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C9H6ClF3N2/c1-15-4-6(10)5-2-3-7(9(11,12)13)14-8(5)15/h2-4H,1H3
InChIKeyCGEJGXCFULZCRO-UHFFFAOYSA-N
MW234.61 g/mol
LogP3.25
Rot. Bonds

About 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 133058620) has the molecular formula C9H6ClF3N2 and a molecular weight of 234.61 g/mol. Its IUPAC name is 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID133058620
Molecular FormulaC9H6ClF3N2
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(Cl)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C9H6ClF3N2/c1-15-4-6(10)5-2-3-7(9(11,12)13)14-8(5)15/h2-4H,1H3
InChIKeyCGEJGXCFULZCRO-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,6-dichloro-2-pyridinyl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 75454825
5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562862
5-chloro-2-(trifluoromethyl)quinoline
CID 10889765
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150706
5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562901
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
3-[(2-chloroquinolin-3-yl)methyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 38666709
5-chloro-7-methyl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 138710551
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 164562834
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150763
4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 170551449

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 133058620) is 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is Cn1cc(Cl)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is CGEJGXCFULZCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2/c1-15-4-6(10)5-2-3-7(9(11,12)13)14-8(5)15/h2-4H,1H3.
What are the key properties of 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 234.61 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 133058620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).