2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid

C11H11N3O2 — CID 83821721

IUPAC2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
SMILESCn1c(CC(=O)O)cnc1-c1ccccn1
InChIInChI=1S/C11H11N3O2/c1-14-8(6-10(15)16)7-13-11(14)9-4-2-3-5-12-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeySKTOTTQIWWBSJM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.11
Rot. Bonds3

About 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid

2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid (PubChem CID 83821721) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
PubChem CID83821721
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
SMILESCn1c(CC(=O)O)cnc1-c1ccccn1
InChIInChI=1S/C11H11N3O2/c1-14-8(6-10(15)16)7-13-11(14)9-4-2-3-5-12-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeySKTOTTQIWWBSJM-UHFFFAOYSA-N
XLogP1.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-5-phenylimidazol-2-yl)pyridine
CID 53243377
2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine
CID 175240143
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
2-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetic acid
CID 121213660
2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid
CID 45157060
2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
CID 84771354
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
CID 155675288
3-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid
CID 82145355

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid (CID 83821721) is 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid is Cn1c(CC(=O)O)cnc1-c1ccccn1.
What is the InChIKey of 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid?
The InChIKey is SKTOTTQIWWBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-8(6-10(15)16)7-13-11(14)9-4-2-3-5-12-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid?
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid is sourced from PubChem (CID 83821721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).