N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide

C14H12ClFN2O2 — CID 11645039

IUPACN-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1Cl)c1cncc(O)c1
InChIInChI=1S/C14H12ClFN2O2/c15-13-6-11(16)2-1-9(13)3-4-18-14(20)10-5-12(19)8-17-7-10/h1-2,5-8,19H,3-4H2,(H,18,20)
InChIKeyZNPUOEIYJGBDPY-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide

N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 11645039) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
PubChem CID11645039
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1Cl)c1cncc(O)c1
InChIInChI=1S/C14H12ClFN2O2/c15-13-6-11(16)2-1-9(13)3-4-18-14(20)10-5-12(19)8-17-7-10/h1-2,5-8,19H,3-4H2,(H,18,20)
InChIKeyZNPUOEIYJGBDPY-UHFFFAOYSA-N
XLogP2.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide (CID 11645039) is N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide is O=C(NCCc1ccc(F)cc1Cl)c1cncc(O)c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is ZNPUOEIYJGBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-13-6-11(16)2-1-9(13)3-4-18-14(20)10-5-12(19)8-17-7-10/h1-2,5-8,19H,3-4H2,(H,18,20).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 11645039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).