1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine

C15H12ClNO2 — CID 152623164

IUPAC1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine
SMILESClCc1occ2cnc(OCc3ccccc3)cc12
InChIInChI=1S/C15H12ClNO2/c16-7-14-13-6-15(17-8-12(13)10-18-14)19-9-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2
InChIKeyZBYLWYLRTDRBBS-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.15
Rot. Bonds4

About 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine

1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine (PubChem CID 152623164) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine.

Molecular Properties

Compound Name1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine
PubChem CID152623164
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine
SMILESClCc1occ2cnc(OCc3ccccc3)cc12
InChIInChI=1S/C15H12ClNO2/c16-7-14-13-6-15(17-8-12(13)10-18-14)19-9-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2
InChIKeyZBYLWYLRTDRBBS-UHFFFAOYSA-N
XLogP4.15
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
4-amino-6-phenylmethoxypyridin-3-ol;hydrochloride
CID 86731412
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
1-methyl-7-phenylmethoxyfuro[3,4-c]pyridine
CID 154395409
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
CID 65126344
2-bromo-5-phenylmethoxypyrazine
CID 46738200
2-methyl-5-phenylmethoxypyrazine
CID 129054090
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102545457
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine?
The IUPAC name of 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine (CID 152623164) is 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine.
What is the SMILES notation for 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine?
The canonical SMILES for 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine is ClCc1occ2cnc(OCc3ccccc3)cc12.
What is the InChIKey of 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine?
The InChIKey is ZBYLWYLRTDRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-7-14-13-6-15(17-8-12(13)10-18-14)19-9-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2.
What are the key properties of 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine?
1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine has a molecular weight of 273.72 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-6-phenylmethoxyfuro[3,4-c]pyridine is sourced from PubChem (CID 152623164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).