1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C17H14F3N3O3 — CID 10090221

IUPAC1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCCn1cc(Cc2cc(F)c(F)c(F)c2O)c2cnc(C(=O)NO)cc21
InChIInChI=1S/C17H14F3N3O3/c1-2-23-7-9(3-8-4-11(18)14(19)15(20)16(8)24)10-6-21-12(5-13(10)23)17(25)22-26/h4-7,24,26H,2-3H2,1H3,(H,22,25)
InChIKeyJSQHVEIJSAPFNR-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.89
Rot. Bonds4

About 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 10090221) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID10090221
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCCn1cc(Cc2cc(F)c(F)c(F)c2O)c2cnc(C(=O)NO)cc21
InChIInChI=1S/C17H14F3N3O3/c1-2-23-7-9(3-8-4-11(18)14(19)15(20)16(8)24)10-6-21-12(5-13(10)23)17(25)22-26/h4-7,24,26H,2-3H2,1H3,(H,22,25)
InChIKeyJSQHVEIJSAPFNR-UHFFFAOYSA-N
XLogP2.89
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 10090221) is 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is CCn1cc(Cc2cc(F)c(F)c(F)c2O)c2cnc(C(=O)NO)cc21.
What is the InChIKey of 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is JSQHVEIJSAPFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-2-23-7-9(3-8-4-11(18)14(19)15(20)16(8)24)10-6-21-12(5-13(10)23)17(25)22-26/h4-7,24,26H,2-3H2,1H3,(H,22,25).
What are the key properties of 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 365.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-hydroxy-3-[(3,4,5-trifluoro-2-hydroxyphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 10090221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).