[2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine

C9H7Cl2N5 — CID 79780757

IUPAC[2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl2N5/c10-5-3-6(11)8(14-4-5)9-13-2-1-7(15-9)16-12/h1-4H,12H2,(H,13,15,16)
InChIKeyBBAHLKXVNNCONF-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.13
Rot. Bonds2

About [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine

[2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine (PubChem CID 79780757) has the molecular formula C9H7Cl2N5 and a molecular weight of 256.10 g/mol. Its IUPAC name is [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine
PubChem CID79780757
Molecular FormulaC9H7Cl2N5
Molecular Weight256.10 g/mol
Exact Mass255.01
IUPAC Name[2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl2N5/c10-5-3-6(11)8(14-4-5)9-13-2-1-7(15-9)16-12/h1-4H,12H2,(H,13,15,16)
InChIKeyBBAHLKXVNNCONF-UHFFFAOYSA-N
XLogP2.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine (CID 79780757) is [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine is NNc1ccnc(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine?
The InChIKey is BBAHLKXVNNCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5/c10-5-3-6(11)8(14-4-5)9-13-2-1-7(15-9)16-12/h1-4H,12H2,(H,13,15,16).
What are the key properties of [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine?
[2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine has a molecular weight of 256.10 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloro-2-pyridinyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79780757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).