4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol

C12H9ClN2O — CID 137141289

IUPAC4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccccn1
InChIInChI=1S/C12H9ClN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-8,16H/b15-8+
InChIKeyQCXJRECUHHWUNH-OVCLIPMQSA-N
MW232.67 g/mol
LogP3.19
Rot. Bonds2

About 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol

4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol (PubChem CID 137141289) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
PubChem CID137141289
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccccn1
InChIInChI=1S/C12H9ClN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-8,16H/b15-8+
InChIKeyQCXJRECUHHWUNH-OVCLIPMQSA-N
XLogP3.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 135908107
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
CID 3640337
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 162650883
4-chloro-2-[(3-fluoro-2-methylphenyl)iminomethyl]phenol
CID 135657382
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
CID 139204499
copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
CID 137200643
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol (CID 137141289) is 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1ccccn1.
What is the InChIKey of 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol?
The InChIKey is QCXJRECUHHWUNH-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-8,16H/b15-8+.
What are the key properties of 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol?
4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol has a molecular weight of 232.67 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol is sourced from PubChem (CID 137141289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).