N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide

C10H10Cl2N4 — CID 13009127

IUPACN-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide
SMILESCC/C(=N\Cc1cc(Cl)nc(Cl)c1)NC#N
InChIInChI=1S/C10H10Cl2N4/c1-2-10(15-6-13)14-5-7-3-8(11)16-9(12)4-7/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyMBZNMUPCIXNWTJ-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.77
Rot. Bonds3

About N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide

N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide (PubChem CID 13009127) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide.

Molecular Properties

Compound NameN-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide
PubChem CID13009127
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC NameN-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide
SMILESCC/C(=N\Cc1cc(Cl)nc(Cl)c1)NC#N
InChIInChI=1S/C10H10Cl2N4/c1-2-10(15-6-13)14-5-7-3-8(11)16-9(12)4-7/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyMBZNMUPCIXNWTJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide?
The IUPAC name of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide (CID 13009127) is N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide.
What is the SMILES notation for N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide?
The canonical SMILES for N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide is CC/C(=N\Cc1cc(Cl)nc(Cl)c1)NC#N.
What is the InChIKey of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide?
The InChIKey is MBZNMUPCIXNWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-2-10(15-6-13)14-5-7-3-8(11)16-9(12)4-7/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide?
N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide has a molecular weight of 257.12 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]propanimidamide is sourced from PubChem (CID 13009127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).