pyridin-3-ylmethyl 2H-chromene-3-carboxylate

C16H13NO3 — CID 1475919

IUPACpyridin-3-ylmethyl 2H-chromene-3-carboxylate
SMILESO=C(OCc1cccnc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H13NO3/c18-16(20-10-12-4-3-7-17-9-12)14-8-13-5-1-2-6-15(13)19-11-14/h1-9H,10-11H2
InChIKeyMZSCCHBEFJBMJO-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.60
Rot. Bonds3

About pyridin-3-ylmethyl 2H-chromene-3-carboxylate

pyridin-3-ylmethyl 2H-chromene-3-carboxylate (PubChem CID 1475919) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is pyridin-3-ylmethyl 2H-chromene-3-carboxylate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 2H-chromene-3-carboxylate
PubChem CID1475919
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namepyridin-3-ylmethyl 2H-chromene-3-carboxylate
SMILESO=C(OCc1cccnc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H13NO3/c18-16(20-10-12-4-3-7-17-9-12)14-8-13-5-1-2-6-15(13)19-11-14/h1-9H,10-11H2
InChIKeyMZSCCHBEFJBMJO-UHFFFAOYSA-N
XLogP2.60
TPSA48.42 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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 2H-chromene-3-carboxylate?
The IUPAC name of pyridin-3-ylmethyl 2H-chromene-3-carboxylate (CID 1475919) is pyridin-3-ylmethyl 2H-chromene-3-carboxylate.
What is the SMILES notation for pyridin-3-ylmethyl 2H-chromene-3-carboxylate?
The canonical SMILES for pyridin-3-ylmethyl 2H-chromene-3-carboxylate is O=C(OCc1cccnc1)C1=Cc2ccccc2OC1.
What is the InChIKey of pyridin-3-ylmethyl 2H-chromene-3-carboxylate?
The InChIKey is MZSCCHBEFJBMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(20-10-12-4-3-7-17-9-12)14-8-13-5-1-2-6-15(13)19-11-14/h1-9H,10-11H2.
What are the key properties of pyridin-3-ylmethyl 2H-chromene-3-carboxylate?
pyridin-3-ylmethyl 2H-chromene-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 2H-chromene-3-carboxylate is sourced from PubChem (CID 1475919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).