7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one

C16H13NO3 — CID 127027266

IUPAC7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
SMILESCOc1ccc2c(=O)cc(Cc3cccnc3)oc2c1
InChIInChI=1S/C16H13NO3/c1-19-12-4-5-14-15(18)8-13(20-16(14)9-12)7-11-3-2-6-17-10-11/h2-6,8-10H,7H2,1H3
InChIKeyPDDFVUAMNUBBPB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.79
Rot. Bonds3

About 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one

7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one (PubChem CID 127027266) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
PubChem CID127027266
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
SMILESCOc1ccc2c(=O)cc(Cc3cccnc3)oc2c1
InChIInChI=1S/C16H13NO3/c1-19-12-4-5-14-15(18)8-13(20-16(14)9-12)7-11-3-2-6-17-10-11/h2-6,8-10H,7H2,1H3
InChIKeyPDDFVUAMNUBBPB-UHFFFAOYSA-N
XLogP2.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-7-methoxychromen-4-one
CID 10013150
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one
CID 10563688
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4965250
7-methoxy-3-[3-(3-pyridin-3-ylpropoxy)propyl]isochromen-1-one
CID 127028466
2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one
CID 15160791
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
2-(4-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 53487406
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
7,12-dimethoxy-3-(pyridin-3-ylmethyl)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
CID 21252851
N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
CID 51998294

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one?
The IUPAC name of 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one (CID 127027266) is 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one is COc1ccc2c(=O)cc(Cc3cccnc3)oc2c1.
What is the InChIKey of 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one?
The InChIKey is PDDFVUAMNUBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-12-4-5-14-15(18)8-13(20-16(14)9-12)7-11-3-2-6-17-10-11/h2-6,8-10H,7H2,1H3.
What are the key properties of 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one?
7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one has a molecular weight of 267.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one is sourced from PubChem (CID 127027266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).