N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine

C14H12ClN3 — CID 5024735

IUPACN-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine
SMILESClC(C=NNc1ccccn1)=Cc1ccccc1
InChIInChI=1S/C14H12ClN3/c15-13(10-12-6-2-1-3-7-12)11-17-18-14-8-4-5-9-16-14/h1-11H,(H,16,18)
InChIKeyVOBSUDKVNVVOKM-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine

N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine (PubChem CID 5024735) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine
PubChem CID5024735
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC NameN-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine
SMILESClC(C=NNc1ccccn1)=Cc1ccccc1
InChIInChI=1S/C14H12ClN3/c15-13(10-12-6-2-1-3-7-12)11-17-18-14-8-4-5-9-16-14/h1-11H,(H,16,18)
InChIKeyVOBSUDKVNVVOKM-UHFFFAOYSA-N
XLogP3.76
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine?
The IUPAC name of N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine (CID 5024735) is N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine.
What is the SMILES notation for N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine?
The canonical SMILES for N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine is ClC(C=NNc1ccccn1)=Cc1ccccc1.
What is the InChIKey of N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine?
The InChIKey is VOBSUDKVNVVOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-13(10-12-6-2-1-3-7-12)11-17-18-14-8-4-5-9-16-14/h1-11H,(H,16,18).
What are the key properties of N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine?
N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine is sourced from PubChem (CID 5024735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).