N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide

C23H13ClFN3O — CID 137180157

IUPACN-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(F)c(Cl)c1)c1ccnc(-c2cccc3ccccc23)c1O
InChIInChI=1S/C23H13ClFN3O/c24-19-12-15(8-9-20(19)25)28-21(13-26)18-10-11-27-22(23(18)29)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,29H/b28-21+
InChIKeyOGJSLYGBJDIPHX-SGWCAAJKSA-N
MW401.83 g/mol
LogP6.04
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide

N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide (PubChem CID 137180157) has the molecular formula C23H13ClFN3O and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide
PubChem CID137180157
Molecular FormulaC23H13ClFN3O
Molecular Weight401.83 g/mol
Exact Mass401.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(F)c(Cl)c1)c1ccnc(-c2cccc3ccccc23)c1O
InChIInChI=1S/C23H13ClFN3O/c24-19-12-15(8-9-20(19)25)28-21(13-26)18-10-11-27-22(23(18)29)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,29H/b28-21+
InChIKeyOGJSLYGBJDIPHX-SGWCAAJKSA-N
XLogP6.04
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide (CID 137180157) is N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide is N#C/C(=N\c1ccc(F)c(Cl)c1)c1ccnc(-c2cccc3ccccc23)c1O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide?
The InChIKey is OGJSLYGBJDIPHX-SGWCAAJKSA-N. The full InChI is InChI=1S/C23H13ClFN3O/c24-19-12-15(8-9-20(19)25)28-21(13-26)18-10-11-27-22(23(18)29)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,29H/b28-21+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide?
N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide has a molecular weight of 401.83 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-hydroxy-2-naphthalen-1-ylpyridine-4-carboximidoyl cyanide is sourced from PubChem (CID 137180157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).