5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C15H13ClFN3O5 — CID 127041823

IUPAC5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)Nc1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H13ClFN3O5/c16-9-3-7(1-2-10(9)17)4-12(22)19-11-5-18-13(15(24)20-25)14(23)8(11)6-21/h1-3,5,21,23,25H,4,6H2,(H,19,22)(H,20,24)
InChIKeyTZBGXYAFPKLYRN-UHFFFAOYSA-N
MW369.74 g/mol
LogP1.37
Rot. Bonds5

About 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 127041823) has the molecular formula C15H13ClFN3O5 and a molecular weight of 369.74 g/mol. Its IUPAC name is 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID127041823
Molecular FormulaC15H13ClFN3O5
Molecular Weight369.74 g/mol
Exact Mass369.05
IUPAC Name5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)Nc1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H13ClFN3O5/c16-9-3-7(1-2-10(9)17)4-12(22)19-11-5-18-13(15(24)20-25)14(23)8(11)6-21/h1-3,5,21,23,25H,4,6H2,(H,19,22)(H,20,24)
InChIKeyTZBGXYAFPKLYRN-UHFFFAOYSA-N
XLogP1.37
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.74
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 127041823) is 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(Cc1ccc(F)c(Cl)c1)Nc1cnc(C(=O)NO)c(O)c1CO.
What is the InChIKey of 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is TZBGXYAFPKLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O5/c16-9-3-7(1-2-10(9)17)4-12(22)19-11-5-18-13(15(24)20-25)14(23)8(11)6-21/h1-3,5,21,23,25H,4,6H2,(H,19,22)(H,20,24).
What are the key properties of 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 369.74 g/mol, XLogP of 1.37, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chloro-4-fluorophenyl)acetyl]amino]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127041823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).