N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide

C12H8Cl2N2O2 — CID 82884387

IUPACN-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C12H8Cl2N2O2/c13-8-5-7(6-9(14)11(8)17)16-12(18)10-3-1-2-4-15-10/h1-6,17H,(H,16,18)
InChIKeyLVYZFBMSWQYURV-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.35
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 82884387) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID82884387
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C12H8Cl2N2O2/c13-8-5-7(6-9(14)11(8)17)16-12(18)10-3-1-2-4-15-10/h1-6,17H,(H,16,18)
InChIKeyLVYZFBMSWQYURV-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide
CID 165084064
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 163301099
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
CID 166998512
N'-(3-chloro-2-pyridinyl)pyridine-2-carbohydrazide
CID 171665716
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N'-(2,6-dichlorophenyl)pyridine-2-carbohydrazide
CID 127034375
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide (CID 82884387) is N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is LVYZFBMSWQYURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-8-5-7(6-9(14)11(8)17)16-12(18)10-3-1-2-4-15-10/h1-6,17H,(H,16,18).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 283.11 g/mol, XLogP of 3.35, 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)pyridine-2-carboxamide is sourced from PubChem (CID 82884387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).