3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine

C14H10Cl2N4O2 — CID 6892976

IUPAC3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N4O2/c15-11-8-12(16)14(17-9-11)19-18-7-3-5-10-4-1-2-6-13(10)20(21)22/h1-9H,(H,17,19)/b5-3+,18-7+
InChIKeyGSGAEHQEJCDXGR-KDOXUUJXSA-N
MW337.17 g/mol
LogP4.41
Rot. Bonds5

About 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine

3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine (PubChem CID 6892976) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
PubChem CID6892976
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N4O2/c15-11-8-12(16)14(17-9-11)19-18-7-3-5-10-4-1-2-6-13(10)20(21)22/h1-9H,(H,17,19)/b5-3+,18-7+
InChIKeyGSGAEHQEJCDXGR-KDOXUUJXSA-N
XLogP4.41
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
CID 6902838
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
CID 9466475
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933225
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(trifluoromethyl)aniline
CID 6892921
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
CID 5385147
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 12005036
1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
CID 6904289
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
CID 3794109

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine (CID 6892976) is 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine is O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine?
The InChIKey is GSGAEHQEJCDXGR-KDOXUUJXSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c15-11-8-12(16)14(17-9-11)19-18-7-3-5-10-4-1-2-6-13(10)20(21)22/h1-9H,(H,17,19)/b5-3+,18-7+.
What are the key properties of 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine?
3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine has a molecular weight of 337.17 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine is sourced from PubChem (CID 6892976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).