3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine

C11H9Cl2N3O — CID 4833509

IUPAC3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
SMILESCC(=NNc1ncc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C11H9Cl2N3O/c1-7(10-3-2-4-17-10)15-16-11-9(13)5-8(12)6-14-11/h2-6H,1H3,(H,14,16)
InChIKeyURRHRPNKRMRZNV-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.82
Rot. Bonds3

About 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine

3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine (PubChem CID 4833509) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
PubChem CID4833509
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
SMILESCC(=NNc1ncc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C11H9Cl2N3O/c1-7(10-3-2-4-17-10)15-16-11-9(13)5-8(12)6-14-11/h2-6H,1H3,(H,14,16)
InChIKeyURRHRPNKRMRZNV-UHFFFAOYSA-N
XLogP3.82
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.82
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 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine (CID 4833509) is 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine is CC(=NNc1ncc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine?
The InChIKey is URRHRPNKRMRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-7(10-3-2-4-17-10)15-16-11-9(13)5-8(12)6-14-11/h2-6H,1H3,(H,14,16).
What are the key properties of 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine?
3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine has a molecular weight of 270.12 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 4833509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).