6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide

C16H12ClN3O — CID 43804673

IUPAC6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)c3ccccc23)nc1
InChIInChI=1S/C16H12ClN3O/c17-13-6-7-14(12-4-2-1-3-11(12)13)21-15-8-5-10(9-20-15)16(18)19/h1-9H,(H3,18,19)
InChIKeyNFLGJEBRTHEOOL-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.96
Rot. Bonds3

About 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide

6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide (PubChem CID 43804673) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
PubChem CID43804673
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(Cl)c3ccccc23)nc1
InChIInChI=1S/C16H12ClN3O/c17-13-6-7-14(12-4-2-1-3-11(12)13)21-15-8-5-10(9-20-15)16(18)19/h1-9H,(H3,18,19)
InChIKeyNFLGJEBRTHEOOL-UHFFFAOYSA-N
XLogP3.96
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.96
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

6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
CID 43804671
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine
CID 61147725

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide?
The IUPAC name of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide (CID 43804673) is 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide?
The canonical SMILES for 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(Cl)c3ccccc23)nc1.
What is the InChIKey of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide?
The InChIKey is NFLGJEBRTHEOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-6-7-14(12-4-2-1-3-11(12)13)21-15-8-5-10(9-20-15)16(18)19/h1-9H,(H3,18,19).
What are the key properties of 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide?
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide has a molecular weight of 297.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide is sourced from PubChem (CID 43804673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).