5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine

C16H11BrClNO — CID 63480626

IUPAC5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
SMILESClc1ccc(COc2ccc3ccccc3c2Br)cn1
InChIInChI=1S/C16H11BrClNO/c17-16-13-4-2-1-3-12(13)6-7-14(16)20-10-11-5-8-15(18)19-9-11/h1-9H,10H2
InChIKeyIBCLSVHAXLBLFM-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.23
Rot. Bonds3

About 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine

5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine (PubChem CID 63480626) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine.

Molecular Properties

Compound Name5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
PubChem CID63480626
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
SMILESClc1ccc(COc2ccc3ccccc3c2Br)cn1
InChIInChI=1S/C16H11BrClNO/c17-16-13-4-2-1-3-12(13)6-7-14(16)20-10-11-5-8-15(18)19-9-11/h1-9H,10H2
InChIKeyIBCLSVHAXLBLFM-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.23
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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Related Compounds

4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
CID 54910825
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
2-chloro-5-[(2-iodophenoxy)methyl]pyridine
CID 43428206
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
CID 54920974
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
2-chloro-5-(pyridin-2-yloxymethyl)pyridine
CID 131560661
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122

Frequently Asked Questions

What is the IUPAC name of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?
The IUPAC name of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine (CID 63480626) is 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine.
What is the SMILES notation for 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?
The canonical SMILES for 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine is Clc1ccc(COc2ccc3ccccc3c2Br)cn1.
What is the InChIKey of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?
The InChIKey is IBCLSVHAXLBLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-16-13-4-2-1-3-12(13)6-7-14(16)20-10-11-5-8-15(18)19-9-11/h1-9H,10H2.
What are the key properties of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine has a molecular weight of 348.63 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine is sourced from PubChem (CID 63480626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).