2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid

C16H15NO3 — CID 3080818

IUPAC2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
SMILESCc1ccc2c(n1)Oc1ccc(C(C)C(=O)O)cc1C2
InChIInChI=1S/C16H15NO3/c1-9-3-4-12-8-13-7-11(10(2)16(18)19)5-6-14(13)20-15(12)17-9/h3-7,10H,8H2,1-2H3,(H,18,19)
InChIKeyFJDZVZSBZSMBTP-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid

2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid (PubChem CID 3080818) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
PubChem CID3080818
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
SMILESCc1ccc2c(n1)Oc1ccc(C(C)C(=O)O)cc1C2
InChIInChI=1S/C16H15NO3/c1-9-3-4-12-8-13-7-11(10(2)16(18)19)5-6-14(13)20-15(12)17-9/h3-7,10H,8H2,1-2H3,(H,18,19)
InChIKeyFJDZVZSBZSMBTP-UHFFFAOYSA-N
XLogP3.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid (CID 3080818) is 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid is Cc1ccc2c(n1)Oc1ccc(C(C)C(=O)O)cc1C2.
What is the InChIKey of 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
The InChIKey is FJDZVZSBZSMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-9-3-4-12-8-13-7-11(10(2)16(18)19)5-6-14(13)20-15(12)17-9/h3-7,10H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 3080818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).