2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine

C16H11Cl2NO — CID 63480612

IUPAC2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
SMILESClc1cc(COc2ccc(Cl)c3ccccc23)ccn1
InChIInChI=1S/C16H11Cl2NO/c17-14-5-6-15(13-4-2-1-3-12(13)14)20-10-11-7-8-19-16(18)9-11/h1-9H,10H2
InChIKeyCVAJNMZMQFPTIT-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.12
Rot. Bonds3

About 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine

2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine (PubChem CID 63480612) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
PubChem CID63480612
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
SMILESClc1cc(COc2ccc(Cl)c3ccccc23)ccn1
InChIInChI=1S/C16H11Cl2NO/c17-14-5-6-15(13-4-2-1-3-12(13)14)20-10-11-7-8-19-16(18)9-11/h1-9H,10H2
InChIKeyCVAJNMZMQFPTIT-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine?
The IUPAC name of 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine (CID 63480612) is 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine is Clc1cc(COc2ccc(Cl)c3ccccc23)ccn1.
What is the InChIKey of 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine?
The InChIKey is CVAJNMZMQFPTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-14-5-6-15(13-4-2-1-3-12(13)14)20-10-11-7-8-19-16(18)9-11/h1-9H,10H2.
What are the key properties of 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine?
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine has a molecular weight of 304.18 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine is sourced from PubChem (CID 63480612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).