benzoic acid;1-(methoxymethyl)pyridin-2-imine

C14H16N2O3 — CID 91214275

IUPACbenzoic acid;1-(methoxymethyl)pyridin-2-imine
SMILESO=C(O)c1ccccc1.[H]/N=c1\ccccn1COC
InChIInChI=1S/C7H10N2O.C7H6O2/c1-10-6-9-5-3-2-4-7(9)8;8-7(9)6-4-2-1-3-5-6/h2-5,8H,6H2,1H3;1-5H,(H,8,9)/b8-7+;
InChIKeyWVFGWPXVTHKOAR-USRGLUTNSA-N
MW260.29 g/mol
LogP1.96
Rot. Bonds3

About benzoic acid;1-(methoxymethyl)pyridin-2-imine

benzoic acid;1-(methoxymethyl)pyridin-2-imine (PubChem CID 91214275) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is benzoic acid;1-(methoxymethyl)pyridin-2-imine.

Molecular Properties

Compound Namebenzoic acid;1-(methoxymethyl)pyridin-2-imine
PubChem CID91214275
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namebenzoic acid;1-(methoxymethyl)pyridin-2-imine
SMILESO=C(O)c1ccccc1.[H]/N=c1\ccccn1COC
InChIInChI=1S/C7H10N2O.C7H6O2/c1-10-6-9-5-3-2-4-7(9)8;8-7(9)6-4-2-1-3-5-6/h2-5,8H,6H2,1H3;1-5H,(H,8,9)/b8-7+;
InChIKeyWVFGWPXVTHKOAR-USRGLUTNSA-N
XLogP1.96
TPSA75.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;1-(methoxymethyl)pyridin-2-imine?
The IUPAC name of benzoic acid;1-(methoxymethyl)pyridin-2-imine (CID 91214275) is benzoic acid;1-(methoxymethyl)pyridin-2-imine.
What is the SMILES notation for benzoic acid;1-(methoxymethyl)pyridin-2-imine?
The canonical SMILES for benzoic acid;1-(methoxymethyl)pyridin-2-imine is O=C(O)c1ccccc1.[H]/N=c1\ccccn1COC.
What is the InChIKey of benzoic acid;1-(methoxymethyl)pyridin-2-imine?
The InChIKey is WVFGWPXVTHKOAR-USRGLUTNSA-N. The full InChI is InChI=1S/C7H10N2O.C7H6O2/c1-10-6-9-5-3-2-4-7(9)8;8-7(9)6-4-2-1-3-5-6/h2-5,8H,6H2,1H3;1-5H,(H,8,9)/b8-7+;.
What are the key properties of benzoic acid;1-(methoxymethyl)pyridin-2-imine?
benzoic acid;1-(methoxymethyl)pyridin-2-imine has a molecular weight of 260.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1-(methoxymethyl)pyridin-2-imine is sourced from PubChem (CID 91214275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).