3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide

C13H12BrN3O — CID 62893374

IUPAC3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccccc1Br
InChIInChI=1S/C13H12BrN3O/c14-10-5-1-2-6-11(10)18-8-9-4-3-7-17-12(9)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyHLRBOLSCHBTVHD-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.71
Rot. Bonds4

About 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide

3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62893374) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62893374
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccccc1Br
InChIInChI=1S/C13H12BrN3O/c14-10-5-1-2-6-11(10)18-8-9-4-3-7-17-12(9)13(15)16/h1-7H,8H2,(H3,15,16)
InChIKeyHLRBOLSCHBTVHD-UHFFFAOYSA-N
XLogP2.71
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740
3-[(4-bromo-2-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 55161907
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide (CID 62893374) is 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is HLRBOLSCHBTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-10-5-1-2-6-11(10)18-8-9-4-3-7-17-12(9)13(15)16/h1-7H,8H2,(H3,15,16).
What are the key properties of 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide?
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 306.16 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).