2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide

C16H12BrN3O — CID 61028499

IUPAC2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H12BrN3O/c17-14-11-5-2-1-4-10(11)7-8-13(14)21-16-12(15(18)19)6-3-9-20-16/h1-9H,(H3,18,19)
InChIKeyOCCZBQMXQNTYDP-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.07
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide

2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide (PubChem CID 61028499) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
PubChem CID61028499
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H12BrN3O/c17-14-11-5-2-1-4-10(11)7-8-13(14)21-16-12(15(18)19)6-3-9-20-16/h1-9H,(H3,18,19)
InChIKeyOCCZBQMXQNTYDP-UHFFFAOYSA-N
XLogP4.07
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.07
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'}

Analyze 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
CID 62672685
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
CID 80515853

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide (CID 61028499) is 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide?
The InChIKey is OCCZBQMXQNTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-14-11-5-2-1-4-10(11)7-8-13(14)21-16-12(15(18)19)6-3-9-20-16/h1-9H,(H3,18,19).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide?
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide has a molecular weight of 342.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide is sourced from PubChem (CID 61028499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).