4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol

C13H11BrN2O — CID 136651068

IUPAC4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H11BrN2O/c14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12/h1-8,17H,9H2/b15-8+
InChIKeyWWRNUVBIGCWLQQ-OVCLIPMQSA-N
MW291.15 g/mol
LogP3.17
Rot. Bonds3

About 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol

4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol (PubChem CID 136651068) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol
PubChem CID136651068
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H11BrN2O/c14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12/h1-8,17H,9H2/b15-8+
InChIKeyWWRNUVBIGCWLQQ-OVCLIPMQSA-N
XLogP3.17
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.17
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

NoName_714
CID 135489221
4-[2-(2-Pyridinyl)ethyl]phenol
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2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
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4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
4-Bromo-2-[(quinolin-8-ylamino)methyl]phenol
CID 889297
4-Bromo-2-(pyridin-2-ylaminomethyl)-phenol
CID 951491
2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135616214
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651
2,4-Dibromo-6-[(2-pyridylimino)methyl]phenol
CID 1241566
N'-(5-Bromo-2-hydroxybenzylidene)-2-pyridinecarbohydrazide
CID 135588610
5-Bromo-2-(5-butyl-pyridin-2-yl)-phenol
CID 1858892

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol (CID 136651068) is 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol is Oc1ccc(Br)cc1/C=N/Cc1ccccn1.
What is the InChIKey of 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol?
The InChIKey is WWRNUVBIGCWLQQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12/h1-8,17H,9H2/b15-8+.
What are the key properties of 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol?
4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol has a molecular weight of 291.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 136651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).