4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C9H6ClF3N2 — CID 146567972

IUPAC4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12
InChIInChI=1S/C9H6ClF3N2/c1-4-2-14-8-6(4)7(10)5(3-15-8)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyGWTXSWNVPCRKGF-UHFFFAOYSA-N
MW234.61 g/mol
LogP3.54
Rot. Bonds

About 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146567972) has the molecular formula C9H6ClF3N2 and a molecular weight of 234.61 g/mol. Its IUPAC name is 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID146567972
Molecular FormulaC9H6ClF3N2
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12
InChIInChI=1S/C9H6ClF3N2/c1-4-2-14-8-6(4)7(10)5(3-15-8)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyGWTXSWNVPCRKGF-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
CID 170736977
2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151906166
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 53412635
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135741818
2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 175667994
5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
CID 174580185
3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
CID 122173361
8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
CID 171373219
N-[[(3S)-3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-chloro-3-(trifluoromethyl)benzamide
CID 69163096

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 146567972) is 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GWTXSWNVPCRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2/c1-4-2-14-8-6(4)7(10)5(3-15-8)9(11,12)13/h2-3H,1H3,(H,14,15).
What are the key properties of 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 234.61 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146567972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).