2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol

C14H14N2O — CID 2731177

IUPAC2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol
SMILESC/C(=N\Cc1cccnc1)c1ccccc1O
InChIInChI=1S/C14H14N2O/c1-11(13-6-2-3-7-14(13)17)16-10-12-5-4-8-15-9-12/h2-9,17H,10H2,1H3/b16-11+
InChIKeyQDFCFXZCZJZGFX-LFIBNONCSA-N
MW226.28 g/mol
LogP2.80
Rot. Bonds3

About 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol

2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol (PubChem CID 2731177) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol
PubChem CID2731177
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol
SMILESC/C(=N\Cc1cccnc1)c1ccccc1O
InChIInChI=1S/C14H14N2O/c1-11(13-6-2-3-7-14(13)17)16-10-12-5-4-8-15-9-12/h2-9,17H,10H2,1H3/b16-11+
InChIKeyQDFCFXZCZJZGFX-LFIBNONCSA-N
XLogP2.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol?
The IUPAC name of 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol (CID 2731177) is 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol?
The canonical SMILES for 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol is C/C(=N\Cc1cccnc1)c1ccccc1O.
What is the InChIKey of 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol?
The InChIKey is QDFCFXZCZJZGFX-LFIBNONCSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(13-6-2-3-7-14(13)17)16-10-12-5-4-8-15-9-12/h2-9,17H,10H2,1H3/b16-11+.
What are the key properties of 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol?
2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol has a molecular weight of 226.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol is sourced from PubChem (CID 2731177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).