2-(6-propan-2-yloxy-3-pyridinyl)acetic acid

C10H13NO3 — CID 84666013

IUPAC2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
SMILESCC(C)Oc1ccc(CC(=O)O)cn1
InChIInChI=1S/C10H13NO3/c1-7(2)14-9-4-3-8(6-11-9)5-10(12)13/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyXGMZWAXMUQCYNN-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds4

About 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid

2-(6-propan-2-yloxy-3-pyridinyl)acetic acid (PubChem CID 84666013) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
PubChem CID84666013
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
SMILESCC(C)Oc1ccc(CC(=O)O)cn1
InChIInChI=1S/C10H13NO3/c1-7(2)14-9-4-3-8(6-11-9)5-10(12)13/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyXGMZWAXMUQCYNN-UHFFFAOYSA-N
XLogP1.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
5-(isocyanomethyl)-2-propan-2-yloxypyridine
CID 87652997
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
CID 144549853
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid (CID 84666013) is 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid is CC(C)Oc1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid?
The InChIKey is XGMZWAXMUQCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)14-9-4-3-8(6-11-9)5-10(12)13/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid?
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yloxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 84666013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).