6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C11H11ClF3N3O — CID 154972841

IUPAC6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOCCNc1cc(Cl)nc2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C11H11ClF3N3O/c1-19-3-2-16-7-4-8(12)18-10-9(7)6(5-17-10)11(13,14)15/h4-5H,2-3H2,1H3,(H2,16,17,18)
InChIKeyXERXNDPEDCSBBM-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.29
Rot. Bonds4

About 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 154972841) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID154972841
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOCCNc1cc(Cl)nc2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C11H11ClF3N3O/c1-19-3-2-16-7-4-8(12)18-10-9(7)6(5-17-10)11(13,14)15/h4-5H,2-3H2,1H3,(H2,16,17,18)
InChIKeyXERXNDPEDCSBBM-UHFFFAOYSA-N
XLogP3.29
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
CID 167350850
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885975
2-chloro-4-(2-methoxyethylamino)-7H-cyclopenta[b]pyridine-5-carbonitrile
CID 158138746
2-(2,6-dichloro-4-pyridinyl)-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 166390326
4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine
CID 170577357
6-N-[5-chloro-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-ethyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 146290551
6-chloro-N-[4-(2-methoxyethoxy)butyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716177
5-N-(2-methoxyethyl)-2-N-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-2,5-diamine
CID 141181204
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 70270019

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 154972841) is 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is COCCNc1cc(Cl)nc2[nH]cc(C(F)(F)F)c12.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is XERXNDPEDCSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c1-19-3-2-16-7-4-8(12)18-10-9(7)6(5-17-10)11(13,14)15/h4-5H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 293.68 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154972841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).