5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine

C12H11ClN4 — CID 164576026

IUPAC5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine
SMILESC/C(=N\Nc1ccc(Cl)cn1)c1ccccn1
InChIInChI=1S/C12H11ClN4/c1-9(11-4-2-3-7-14-11)16-17-12-6-5-10(13)8-15-12/h2-8H,1H3,(H,15,17)/b16-9+
InChIKeyFIGHXLYRMLXCQO-CXUHLZMHSA-N
MW246.70 g/mol
LogP2.97
Rot. Bonds3

About 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine

5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine (PubChem CID 164576026) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine
PubChem CID164576026
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine
SMILESC/C(=N\Nc1ccc(Cl)cn1)c1ccccn1
InChIInChI=1S/C12H11ClN4/c1-9(11-4-2-3-7-14-11)16-17-12-6-5-10(13)8-15-12/h2-8H,1H3,(H,15,17)/b16-9+
InChIKeyFIGHXLYRMLXCQO-CXUHLZMHSA-N
XLogP2.97
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine (CID 164576026) is 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine is C/C(=N\Nc1ccc(Cl)cn1)c1ccccn1.
What is the InChIKey of 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine?
The InChIKey is FIGHXLYRMLXCQO-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-9(11-4-2-3-7-14-11)16-17-12-6-5-10(13)8-15-12/h2-8H,1H3,(H,15,17)/b16-9+.
What are the key properties of 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine?
5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine has a molecular weight of 246.70 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]pyridin-2-amine is sourced from PubChem (CID 164576026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).