2-(4-propan-2-yl-3-pyridinyl)acetic acid

C10H13NO2 — CID 82409628

IUPAC2-(4-propan-2-yl-3-pyridinyl)acetic acid
SMILESCC(C)c1ccncc1CC(=O)O
InChIInChI=1S/C10H13NO2/c1-7(2)9-3-4-11-6-8(9)5-10(12)13/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyAVJRUUVACCEJIY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-propan-2-yl-3-pyridinyl)acetic acid

2-(4-propan-2-yl-3-pyridinyl)acetic acid (PubChem CID 82409628) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4-propan-2-yl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-yl-3-pyridinyl)acetic acid
PubChem CID82409628
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(4-propan-2-yl-3-pyridinyl)acetic acid
SMILESCC(C)c1ccncc1CC(=O)O
InChIInChI=1S/C10H13NO2/c1-7(2)9-3-4-11-6-8(9)5-10(12)13/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyAVJRUUVACCEJIY-UHFFFAOYSA-N
XLogP1.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylpropyl)-4-propan-2-ylpyridine
CID 138726137
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
(4-propan-2-yl-3-pyridinyl) trifluoromethanesulfonate
CID 139986370
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
CID 84676768
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid
CID 84676163
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
1-amino-1-[3-(hydroxymethyl)-4-pyridinyl]propan-2-one
CID 130039547
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
CID 26793167
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(4-propan-2-yl-3-pyridinyl)acetic acid (CID 82409628) is 2-(4-propan-2-yl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-propan-2-yl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-propan-2-yl-3-pyridinyl)acetic acid is CC(C)c1ccncc1CC(=O)O.
What is the InChIKey of 2-(4-propan-2-yl-3-pyridinyl)acetic acid?
The InChIKey is AVJRUUVACCEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)9-3-4-11-6-8(9)5-10(12)13/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-propan-2-yl-3-pyridinyl)acetic acid?
2-(4-propan-2-yl-3-pyridinyl)acetic acid has a molecular weight of 179.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-3-pyridinyl)acetic acid is sourced from PubChem (CID 82409628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).