methyl N-(5-chloro-2-pyridinyl)methanimidate

C7H7ClN2O — CID 20587346

IUPACmethyl N-(5-chloro-2-pyridinyl)methanimidate
SMILESCO/C=N/c1ccc(Cl)cn1
InChIInChI=1S/C7H7ClN2O/c1-11-5-10-7-3-2-6(8)4-9-7/h2-5H,1H3/b10-5+
InChIKeyVNCHLOOMSCQPJY-BJMVGYQFSA-N
MW170.60 g/mol
LogP2.04
Rot. Bonds2

About methyl N-(5-chloro-2-pyridinyl)methanimidate

methyl N-(5-chloro-2-pyridinyl)methanimidate (PubChem CID 20587346) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is methyl N-(5-chloro-2-pyridinyl)methanimidate.

Molecular Properties

Compound Namemethyl N-(5-chloro-2-pyridinyl)methanimidate
PubChem CID20587346
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Namemethyl N-(5-chloro-2-pyridinyl)methanimidate
SMILESCO/C=N/c1ccc(Cl)cn1
InChIInChI=1S/C7H7ClN2O/c1-11-5-10-7-3-2-6(8)4-9-7/h2-5H,1H3/b10-5+
InChIKeyVNCHLOOMSCQPJY-BJMVGYQFSA-N
XLogP2.04
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl N-(5-chloro-2-pyridinyl)methanimidate?
The IUPAC name of methyl N-(5-chloro-2-pyridinyl)methanimidate (CID 20587346) is methyl N-(5-chloro-2-pyridinyl)methanimidate.
What is the SMILES notation for methyl N-(5-chloro-2-pyridinyl)methanimidate?
The canonical SMILES for methyl N-(5-chloro-2-pyridinyl)methanimidate is CO/C=N/c1ccc(Cl)cn1.
What is the InChIKey of methyl N-(5-chloro-2-pyridinyl)methanimidate?
The InChIKey is VNCHLOOMSCQPJY-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-11-5-10-7-3-2-6(8)4-9-7/h2-5H,1H3/b10-5+.
What are the key properties of methyl N-(5-chloro-2-pyridinyl)methanimidate?
methyl N-(5-chloro-2-pyridinyl)methanimidate has a molecular weight of 170.60 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-chloro-2-pyridinyl)methanimidate is sourced from PubChem (CID 20587346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).