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

C9H8Cl2N4 — CID 13009128

IUPACN-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide
SMILESC/C(=N\Cc1cc(Cl)nc(Cl)c1)NC#N
InChIInChI=1S/C9H8Cl2N4/c1-6(14-5-12)13-4-7-2-8(10)15-9(11)3-7/h2-3H,4H2,1H3,(H,13,14)
InChIKeySEYKKCPFGXMJKH-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.38
Rot. Bonds2

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

N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide (PubChem CID 13009128) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide
PubChem CID13009128
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide
SMILESC/C(=N\Cc1cc(Cl)nc(Cl)c1)NC#N
InChIInChI=1S/C9H8Cl2N4/c1-6(14-5-12)13-4-7-2-8(10)15-9(11)3-7/h2-3H,4H2,1H3,(H,13,14)
InChIKeySEYKKCPFGXMJKH-UHFFFAOYSA-N
XLogP2.38
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.38
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]ethanimidamide?
The IUPAC name of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide (CID 13009128) is N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide.
What is the SMILES notation for N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide?
The canonical SMILES for N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide is C/C(=N\Cc1cc(Cl)nc(Cl)c1)NC#N.
What is the InChIKey of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide?
The InChIKey is SEYKKCPFGXMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c1-6(14-5-12)13-4-7-2-8(10)15-9(11)3-7/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide?
N-cyano-N'-[(2,6-dichloro-4-pyridinyl)methyl]ethanimidamide has a molecular weight of 243.10 g/mol, XLogP of 2.38, 2 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]ethanimidamide is sourced from PubChem (CID 13009128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).