3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid

C13H12N2O2 — CID 121355469

IUPAC3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12N2O2/c16-13(17)7-5-10-4-6-12(15-9-10)11-3-1-2-8-14-11/h1-4,6,8-9H,5,7H2,(H,16,17)
InChIKeyDSMFTFDVBLQDOK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.16
Rot. Bonds4

About 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid

3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid (PubChem CID 121355469) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
PubChem CID121355469
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12N2O2/c16-13(17)7-5-10-4-6-12(15-9-10)11-3-1-2-8-14-11/h1-4,6,8-9H,5,7H2,(H,16,17)
InChIKeyDSMFTFDVBLQDOK-UHFFFAOYSA-N
XLogP2.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
CID 101437421
CID 101437421
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid
CID 165114141
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
CID 19840714
5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
CID 121355471
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787
4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
CID 11087244
3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
CID 22326481
[1-phenyl-3-(6-pyridin-2-yl-3-pyridinyl)propyl] benzenecarbodithioate
CID 59015060
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982

Frequently Asked Questions

What is the IUPAC name of 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid (CID 121355469) is 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid is O=C(O)CCc1ccc(-c2ccccn2)nc1.
What is the InChIKey of 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
The InChIKey is DSMFTFDVBLQDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)7-5-10-4-6-12(15-9-10)11-3-1-2-8-14-11/h1-4,6,8-9H,5,7H2,(H,16,17).
What are the key properties of 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 121355469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).