N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide

C13H8ClN3O2 — CID 81446338

IUPACN-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ccncc1O
InChIInChI=1S/C13H8ClN3O2/c14-9-2-1-8(6-15)11(5-9)17-13(19)10-3-4-16-7-12(10)18/h1-5,7,18H,(H,17,19)
InChIKeyWBLNFXTYANZRCM-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.56
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide

N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 81446338) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
PubChem CID81446338
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ccncc1O
InChIInChI=1S/C13H8ClN3O2/c14-9-2-1-8(6-15)11(5-9)17-13(19)10-3-4-16-7-12(10)18/h1-5,7,18H,(H,17,19)
InChIKeyWBLNFXTYANZRCM-UHFFFAOYSA-N
XLogP2.56
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide (CID 81446338) is N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)c1ccncc1O.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is WBLNFXTYANZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-2-1-8(6-15)11(5-9)17-13(19)10-3-4-16-7-12(10)18/h1-5,7,18H,(H,17,19).
What are the key properties of N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide?
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 273.68 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81446338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).