N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide

C15H10F3N3O3 — CID 87458709

IUPACN-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2[nH]cc(COc3ccc(F)c(F)c3F)c2cn1
InChIInChI=1S/C15H10F3N3O3/c16-9-1-2-12(14(18)13(9)17)24-6-7-4-19-10-3-11(15(22)21-23)20-5-8(7)10/h1-5,19,23H,6H2,(H,21,22)
InChIKeyDPWIZHPUYSFLRE-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.68
Rot. Bonds4

About N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide

N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 87458709) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID87458709
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC NameN-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2[nH]cc(COc3ccc(F)c(F)c3F)c2cn1
InChIInChI=1S/C15H10F3N3O3/c16-9-1-2-12(14(18)13(9)17)24-6-7-4-19-10-3-11(15(22)21-23)20-5-8(7)10/h1-5,19,23H,6H2,(H,21,22)
InChIKeyDPWIZHPUYSFLRE-UHFFFAOYSA-N
XLogP2.68
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide (CID 87458709) is N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide is O=C(NO)c1cc2[nH]cc(COc3ccc(F)c(F)c3F)c2cn1.
What is the InChIKey of N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is DPWIZHPUYSFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c16-9-1-2-12(14(18)13(9)17)24-6-7-4-19-10-3-11(15(22)21-23)20-5-8(7)10/h1-5,19,23H,6H2,(H,21,22).
What are the key properties of N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide?
N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 87458709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).