acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine

C15H15Cl2N3O2 — CID 73243218

IUPACacetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine
SMILESCC(=NNc1ccccn1)c1ccc(Cl)cc1Cl.CC(=O)O
InChIInChI=1S/C13H11Cl2N3.C2H4O2/c1-9(11-6-5-10(14)8-12(11)15)17-18-13-4-2-3-7-16-13;1-2(3)4/h2-8H,1H3,(H,16,18);1H3,(H,3,4)
InChIKeyZORJEEYOACGKIW-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.32
Rot. Bonds3

About acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine

acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine (PubChem CID 73243218) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Nameacetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine
PubChem CID73243218
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Nameacetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine
SMILESCC(=NNc1ccccn1)c1ccc(Cl)cc1Cl.CC(=O)O
InChIInChI=1S/C13H11Cl2N3.C2H4O2/c1-9(11-6-5-10(14)8-12(11)15)17-18-13-4-2-3-7-16-13;1-2(3)4/h2-8H,1H3,(H,16,18);1H3,(H,3,4)
InChIKeyZORJEEYOACGKIW-UHFFFAOYSA-N
XLogP4.32
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.32
H-Bond Donors ≤ 52
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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Related Compounds

2,4-dichloro-6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenol
CID 135846344
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
4-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzene-1,3-diol
CID 135612559
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
(E)-1-(2,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 27191231
N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
CID 6273160
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
CID 154508101
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine?
The IUPAC name of acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine (CID 73243218) is acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine is CC(=NNc1ccccn1)c1ccc(Cl)cc1Cl.CC(=O)O.
What is the InChIKey of acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine?
The InChIKey is ZORJEEYOACGKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3.C2H4O2/c1-9(11-6-5-10(14)8-12(11)15)17-18-13-4-2-3-7-16-13;1-2(3)4/h2-8H,1H3,(H,16,18);1H3,(H,3,4).
What are the key properties of acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine?
acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine has a molecular weight of 340.21 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 73243218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).