4-chloro-N-(pyridin-2-ylmethylideneamino)aniline

C12H10ClN3 — CID 78605778

IUPAC4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
SMILESClc1ccc(NN=Cc2ccccn2)cc1
InChIInChI=1S/C12H10ClN3/c13-10-4-6-11(7-5-10)16-15-9-12-3-1-2-8-14-12/h1-9,16H
InChIKeyTXYMJVGJUSOKLT-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline

4-chloro-N-(pyridin-2-ylmethylideneamino)aniline (PubChem CID 78605778) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline.

Molecular Properties

Compound Name4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
PubChem CID78605778
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
SMILESClc1ccc(NN=Cc2ccccn2)cc1
InChIInChI=1S/C12H10ClN3/c13-10-4-6-11(7-5-10)16-15-9-12-3-1-2-8-14-12/h1-9,16H
InChIKeyTXYMJVGJUSOKLT-UHFFFAOYSA-N
XLogP3.18
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.18
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'}

Analyze 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonic acid
CID 6003117
4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine
CID 4536144
4-N,6-N-bis[(E)-pyridin-2-ylmethylideneamino]pyrimidine-2,4,6-triamine
CID 118918788
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethylideneamino)propanamide
CID 958832
2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
CID 6015562
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322
4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one
CID 110512524
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline?
The IUPAC name of 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline (CID 78605778) is 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline.
What is the SMILES notation for 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline?
The canonical SMILES for 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline is Clc1ccc(NN=Cc2ccccn2)cc1.
What is the InChIKey of 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline?
The InChIKey is TXYMJVGJUSOKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-10-4-6-11(7-5-10)16-15-9-12-3-1-2-8-14-12/h1-9,16H.
What are the key properties of 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline?
4-chloro-N-(pyridin-2-ylmethylideneamino)aniline has a molecular weight of 231.69 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-2-ylmethylideneamino)aniline is sourced from PubChem (CID 78605778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).