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

C15H13NO3 — CID 4888

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IUPAC2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
SMILESCC(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)
InChIKeyTVQZAMVBTVNYLA-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.97
Rot. Bonds2

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

2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid (PubChem CID 4888) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
PubChem CID4888
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
SMILESCC(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)
InChIKeyTVQZAMVBTVNYLA-UHFFFAOYSA-N
XLogP2.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H-chromeno(2,3-b)pyridin-5-one
CID 659312
4h-1-Benzopyran-4-one,2,3-dihydro-6-methyl-2-(3-pyridinyl)-
CID 10681458
Tilnoprofenic acid
CID 3080818
3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butoxy)phenyl)propanoic acid
CID 11155087
3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11178006
(R)-3-(4-(3-(4-ethyl-2-(pyridin-4-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11235859
3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 44439626
AM432 sodium
CID 50901657
3-Pyridin-3-yl-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 59132740
3-Pyridin-4-yl-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 68676271
(3S)-3-cyclopropyl-3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 118642372
(3S)-3-cyclopropyl-3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 118642390

Frequently Asked Questions

What is the IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
The IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid (CID 4888) is 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
The canonical SMILES for 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2.
What is the InChIKey of 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
The InChIKey is TVQZAMVBTVNYLA-UHFFFAOYSA-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).
What are the key properties of 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid?
2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.97, 2 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)propanoic acid is sourced from PubChem (CID 4888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).