2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide

C12H7Cl2FN2O2 — CID 114034323

IUPAC2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-9-4-7(1-2-10(9)18)17-12(19)8-3-6(15)5-16-11(8)14/h1-5,18H,(H,17,19)
InChIKeyXXCPZUZFTSTLPZ-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide

2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 114034323) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
PubChem CID114034323
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-9-4-7(1-2-10(9)18)17-12(19)8-3-6(15)5-16-11(8)14/h1-5,18H,(H,17,19)
InChIKeyXXCPZUZFTSTLPZ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide (CID 114034323) is 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is XXCPZUZFTSTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-9-4-7(1-2-10(9)18)17-12(19)8-3-6(15)5-16-11(8)14/h1-5,18H,(H,17,19).
What are the key properties of 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide?
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-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 2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114034323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).