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

C9H11Cl2N3 — CID 59991425

IUPACN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide
SMILESC/N=C(\C)NCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H11Cl2N3/c1-6(12-2)13-5-7-3-8(10)14-9(11)4-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZRMKXGUZTCRQHF-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.53
Rot. Bonds2

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

N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide (PubChem CID 59991425) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide
PubChem CID59991425
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide
SMILESC/N=C(\C)NCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H11Cl2N3/c1-6(12-2)13-5-7-3-8(10)14-9(11)4-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZRMKXGUZTCRQHF-UHFFFAOYSA-N
XLogP2.53
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide?
The IUPAC name of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide (CID 59991425) is N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide is C/N=C(\C)NCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide?
The InChIKey is ZRMKXGUZTCRQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-6(12-2)13-5-7-3-8(10)14-9(11)4-7/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide?
N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide has a molecular weight of 232.11 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylethanimidamide is sourced from PubChem (CID 59991425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).