N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide

C12H6ClF3N2O2 — CID 104580540

IUPACN-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(Nc1cnccc1Cl)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C12H6ClF3N2O2/c13-6-1-2-17-4-8(6)18-12(20)5-3-7(14)10(16)11(19)9(5)15/h1-4,19H,(H,18,20)
InChIKeyDOHXUQWIKHDNOC-UHFFFAOYSA-N
MW302.64 g/mol
LogP3.11
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 104580540) has the molecular formula C12H6ClF3N2O2 and a molecular weight of 302.64 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID104580540
Molecular FormulaC12H6ClF3N2O2
Molecular Weight302.64 g/mol
Exact Mass302.01
IUPAC NameN-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(Nc1cnccc1Cl)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C12H6ClF3N2O2/c13-6-1-2-17-4-8(6)18-12(20)5-3-7(14)10(16)11(19)9(5)15/h1-4,19H,(H,18,20)
InChIKeyDOHXUQWIKHDNOC-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107697532
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
CID 112576138
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068601
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 104580540) is N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide is O=C(Nc1cnccc1Cl)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is DOHXUQWIKHDNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O2/c13-6-1-2-17-4-8(6)18-12(20)5-3-7(14)10(16)11(19)9(5)15/h1-4,19H,(H,18,20).
What are the key properties of N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 302.64 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 104580540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).