methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate

C13H11ClN2O — CID 71512375

IUPACmethyl N-(2-chloro-3-pyridinyl)benzenecarboximidate
SMILESCO/C(=N\c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c1-17-13(10-6-3-2-4-7-10)16-11-8-5-9-15-12(11)14/h2-9H,1H3/b16-13-
InChIKeyBWNPHWGCFAMDNT-SSZFMOIBSA-N
MW246.70 g/mol
LogP3.46
Rot. Bonds2

About methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate

methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate (PubChem CID 71512375) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate.

Molecular Properties

Compound Namemethyl N-(2-chloro-3-pyridinyl)benzenecarboximidate
PubChem CID71512375
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Namemethyl N-(2-chloro-3-pyridinyl)benzenecarboximidate
SMILESCO/C(=N\c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c1-17-13(10-6-3-2-4-7-10)16-11-8-5-9-15-12(11)14/h2-9H,1H3/b16-13-
InChIKeyBWNPHWGCFAMDNT-SSZFMOIBSA-N
XLogP3.46
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate?
The IUPAC name of methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate (CID 71512375) is methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate.
What is the SMILES notation for methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate?
The canonical SMILES for methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate is CO/C(=N\c1cccnc1Cl)c1ccccc1.
What is the InChIKey of methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate?
The InChIKey is BWNPHWGCFAMDNT-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-17-13(10-6-3-2-4-7-10)16-11-8-5-9-15-12(11)14/h2-9H,1H3/b16-13-.
What are the key properties of methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate?
methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate has a molecular weight of 246.70 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-chloro-3-pyridinyl)benzenecarboximidate is sourced from PubChem (CID 71512375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).