N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide

C12H7Cl2FN2O2 — CID 82885551

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccncc1F
InChIInChI=1S/C12H7Cl2FN2O2/c13-8-3-6(4-9(14)11(8)18)17-12(19)7-1-2-16-5-10(7)15/h1-5,18H,(H,17,19)
InChIKeyVVNJADAXXLICEB-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.49
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 82885551) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID82885551
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccncc1F
InChIInChI=1S/C12H7Cl2FN2O2/c13-8-3-6(4-9(14)11(8)18)17-12(19)7-1-2-16-5-10(7)15/h1-5,18H,(H,17,19)
InChIKeyVVNJADAXXLICEB-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide 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-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270
N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
CID 122142167
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide (CID 82885551) is N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccncc1F.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is VVNJADAXXLICEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-8-3-6(4-9(14)11(8)18)17-12(19)7-1-2-16-5-10(7)15/h1-5,18H,(H,17,19).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 301.10 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 82885551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).