N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide

C25H20Cl2N4O4 — CID 165084064

IUPACN-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccccn1.[3H]C([3H])([3H])Oc1cc(NC(=O)c2ccccn2)ccc1Cl
InChIInChI=1S/C13H11ClN2O2.C12H9ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11;13-9-5-4-8(7-11(9)16)15-12(17)10-3-1-2-6-14-10/h2-8H,1H3,(H,16,17);1-7,16H,(H,15,17)/i1T3;
InChIKeyVPCSCVIJWJEUPJ-DFCKGCRZSA-N
MW517.39 g/mol
LogP5.69
Rot. Bonds6

About N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide

N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 165084064) has the molecular formula C25H20Cl2N4O4 and a molecular weight of 517.39 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide
PubChem CID165084064
Molecular FormulaC25H20Cl2N4O4
Molecular Weight517.39 g/mol
Exact Mass516.11
IUPAC NameN-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccccn1.[3H]C([3H])([3H])Oc1cc(NC(=O)c2ccccn2)ccc1Cl
InChIInChI=1S/C13H11ClN2O2.C12H9ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11;13-9-5-4-8(7-11(9)16)15-12(17)10-3-1-2-6-14-10/h2-8H,1H3,(H,16,17);1-7,16H,(H,15,17)/i1T3;
InChIKeyVPCSCVIJWJEUPJ-DFCKGCRZSA-N
XLogP5.69
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.39
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
CID 166998512
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide (CID 165084064) is N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)c1ccccn1.[3H]C([3H])([3H])Oc1cc(NC(=O)c2ccccn2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is VPCSCVIJWJEUPJ-DFCKGCRZSA-N. The full InChI is InChI=1S/C13H11ClN2O2.C12H9ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11;13-9-5-4-8(7-11(9)16)15-12(17)10-3-1-2-6-14-10/h2-8H,1H3,(H,16,17);1-7,16H,(H,15,17)/i1T3;.
What are the key properties of N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide?
N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 517.39 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 165084064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).