2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid

C16H17NO2 — CID 116824877

IUPAC2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2cccnc2)c(C)c1C
InChIInChI=1S/C16H17NO2/c1-10-6-7-14(12(3)11(10)2)15(16(18)19)13-5-4-8-17-9-13/h4-9,15H,1-3H3,(H,18,19)
InChIKeyMVMKXENEXFVQEB-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.22
Rot. Bonds3

About 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid

2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid (PubChem CID 116824877) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid
PubChem CID116824877
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2cccnc2)c(C)c1C
InChIInChI=1S/C16H17NO2/c1-10-6-7-14(12(3)11(10)2)15(16(18)19)13-5-4-8-17-9-13/h4-9,15H,1-3H3,(H,18,19)
InChIKeyMVMKXENEXFVQEB-UHFFFAOYSA-N
XLogP3.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
CID 116824819
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
CID 116824852
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid?
The IUPAC name of 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid (CID 116824877) is 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid?
The canonical SMILES for 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid is Cc1ccc(C(C(=O)O)c2cccnc2)c(C)c1C.
What is the InChIKey of 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid?
The InChIKey is MVMKXENEXFVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-6-7-14(12(3)11(10)2)15(16(18)19)13-5-4-8-17-9-13/h4-9,15H,1-3H3,(H,18,19).
What are the key properties of 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid?
2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid is sourced from PubChem (CID 116824877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).