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

C15H13NO3 — CID 169445810

IUPAC2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid
SMILES[2H]C([2H])([2H])C(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2
InChIInChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)/i1D3
InChIKeyTVQZAMVBTVNYLA-FIBGUPNXSA-N
MW258.29 g/mol
LogP2.97
Rot. Bonds3

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

2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid (PubChem CID 169445810) has the molecular formula C15H13NO3 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid.

Molecular Properties

Compound Name2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid
PubChem CID169445810
Molecular FormulaC15H13NO3
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid
SMILES[2H]C([2H])([2H])C(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2
InChIInChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)/i1D3
InChIKeyTVQZAMVBTVNYLA-FIBGUPNXSA-N
XLogP2.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid?
The IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid (CID 169445810) is 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid.
What is the SMILES notation for 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid?
The canonical SMILES for 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid is [2H]C([2H])([2H])C(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2.
What is the InChIKey of 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid?
The InChIKey is TVQZAMVBTVNYLA-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)/i1D3.
What are the key properties of 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid?
2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid has a molecular weight of 258.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-chromeno[2,3-b]pyridin-7-yl)-3,3,3-trideuteriopropanoic acid is sourced from PubChem (CID 169445810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).