3-(chloromethyl)-6-pyridin-2-ylchromen-4-one

C15H10ClNO2 — CID 139649560

IUPAC3-(chloromethyl)-6-pyridin-2-ylchromen-4-one
SMILESO=c1c(CCl)coc2ccc(-c3ccccn3)cc12
InChIInChI=1S/C15H10ClNO2/c16-8-11-9-19-14-5-4-10(7-12(14)15(11)18)13-3-1-2-6-17-13/h1-7,9H,8H2
InChIKeyLUWQKTTVAHLHON-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.59
Rot. Bonds2

About 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one

3-(chloromethyl)-6-pyridin-2-ylchromen-4-one (PubChem CID 139649560) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name3-(chloromethyl)-6-pyridin-2-ylchromen-4-one
PubChem CID139649560
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name3-(chloromethyl)-6-pyridin-2-ylchromen-4-one
SMILESO=c1c(CCl)coc2ccc(-c3ccccn3)cc12
InChIInChI=1S/C15H10ClNO2/c16-8-11-9-19-14-5-4-10(7-12(14)15(11)18)13-3-1-2-6-17-13/h1-7,9H,8H2
InChIKeyLUWQKTTVAHLHON-UHFFFAOYSA-N
XLogP3.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.59
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

(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine
CID 175226604
6-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
CID 90140834
6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one
CID 854598
6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one
CID 46996577
7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one
CID 740743
(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 740771
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
6-(1,3-benzothiazol-2-yl)-3-(pyridin-4-yliminomethyl)chromen-4-one
CID 138374051
6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
CID 54672033
8-pyridin-2-yldibenzofuran-3-carbonitrile
CID 155042702
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one?
The IUPAC name of 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one (CID 139649560) is 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one?
The canonical SMILES for 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one is O=c1c(CCl)coc2ccc(-c3ccccn3)cc12.
What is the InChIKey of 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one?
The InChIKey is LUWQKTTVAHLHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-8-11-9-19-14-5-4-10(7-12(14)15(11)18)13-3-1-2-6-17-13/h1-7,9H,8H2.
What are the key properties of 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one?
3-(chloromethyl)-6-pyridin-2-ylchromen-4-one has a molecular weight of 271.70 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 139649560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).