2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline

C14H10ClN5O — CID 123758348

IUPAC2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILES[H]/N=C(\c1ccnc(Cl)c1)c1cc(-c2nnco2)ccc1N
InChIInChI=1S/C14H10ClN5O/c15-12-6-8(3-4-18-12)13(17)10-5-9(1-2-11(10)16)14-20-19-7-21-14/h1-7,17H,16H2/b17-13+
InChIKeyXVWPWHHBFOOTAV-GHRIWEEISA-N
MW299.72 g/mol
LogP2.78
Rot. Bonds3

About 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline

2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 123758348) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID123758348
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILES[H]/N=C(\c1ccnc(Cl)c1)c1cc(-c2nnco2)ccc1N
InChIInChI=1S/C14H10ClN5O/c15-12-6-8(3-4-18-12)13(17)10-5-9(1-2-11(10)16)14-20-19-7-21-14/h1-7,17H,16H2/b17-13+
InChIKeyXVWPWHHBFOOTAV-GHRIWEEISA-N
XLogP2.78
TPSA101.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline (CID 123758348) is 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline is [H]/N=C(\c1ccnc(Cl)c1)c1cc(-c2nnco2)ccc1N.
What is the InChIKey of 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is XVWPWHHBFOOTAV-GHRIWEEISA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-12-6-8(3-4-18-12)13(17)10-5-9(1-2-11(10)16)14-20-19-7-21-14/h1-7,17H,16H2/b17-13+.
What are the key properties of 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline?
2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 299.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyridine-4-carboximidoyl)-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 123758348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).