2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid

C8H12N2O2 — CID 66842341

IUPAC2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid
SMILESCC1=C(N)C=CCN1CC(=O)O
InChIInChI=1S/C8H12N2O2/c1-6-7(9)3-2-4-10(6)5-8(11)12/h2-3H,4-5,9H2,1H3,(H,11,12)
InChIKeyFDWIZJFDHLYAPG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds2

About 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid

2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid (PubChem CID 66842341) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid
PubChem CID66842341
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid
SMILESCC1=C(N)C=CCN1CC(=O)O
InChIInChI=1S/C8H12N2O2/c1-6-7(9)3-2-4-10(6)5-8(11)12/h2-3H,4-5,9H2,1H3,(H,11,12)
InChIKeyFDWIZJFDHLYAPG-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid (CID 66842341) is 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid is CC1=C(N)C=CCN1CC(=O)O.
What is the InChIKey of 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid?
The InChIKey is FDWIZJFDHLYAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-7(9)3-2-4-10(6)5-8(11)12/h2-3H,4-5,9H2,1H3,(H,11,12).
What are the key properties of 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid?
2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid has a molecular weight of 168.20 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-methyl-2H-pyridin-1-yl)acetic acid is sourced from PubChem (CID 66842341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).