3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine

C12H10Cl2N4 — CID 7987811

IUPAC3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ncc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H10Cl2N4/c1-8(9-2-4-15-5-3-9)17-18-12-11(14)6-10(13)7-16-12/h2-7H,1H3,(H,16,18)/b17-8-
InChIKeyJJNXQVRNSPKSPW-IUXPMGMMSA-N
MW281.15 g/mol
LogP3.62
Rot. Bonds3

About 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine

3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine (PubChem CID 7987811) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
PubChem CID7987811
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ncc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H10Cl2N4/c1-8(9-2-4-15-5-3-9)17-18-12-11(14)6-10(13)7-16-12/h2-7H,1H3,(H,16,18)/b17-8-
InChIKeyJJNXQVRNSPKSPW-IUXPMGMMSA-N
XLogP3.62
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.62
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-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine (CID 7987811) is 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine is C/C(=N/Nc1ncc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine?
The InChIKey is JJNXQVRNSPKSPW-IUXPMGMMSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c1-8(9-2-4-15-5-3-9)17-18-12-11(14)6-10(13)7-16-12/h2-7H,1H3,(H,16,18)/b17-8-.
What are the key properties of 3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine?
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine has a molecular weight of 281.15 g/mol, XLogP of 3.62, 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-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine is sourced from PubChem (CID 7987811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).