3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid

C11H11ClN2O2 — CID 83842813

IUPAC3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid
SMILESCc1nc(Cl)n2ccc(CCC(=O)O)cc12
InChIInChI=1S/C11H11ClN2O2/c1-7-9-6-8(2-3-10(15)16)4-5-14(9)11(12)13-7/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyZLZNEKSHGVIAJE-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.31
Rot. Bonds3

About 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid

3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid (PubChem CID 83842813) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid
PubChem CID83842813
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid
SMILESCc1nc(Cl)n2ccc(CCC(=O)O)cc12
InChIInChI=1S/C11H11ClN2O2/c1-7-9-6-8(2-3-10(15)16)4-5-14(9)11(12)13-7/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyZLZNEKSHGVIAJE-UHFFFAOYSA-N
XLogP2.31
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84740926
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CID 82578031
3-(1-benzylindol-6-yl)propanoic acid
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CID 115106738
3-(7-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
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1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 162083240
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
2-(7-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869402
3-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513031
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
3-(1-ethyl-3-oxo-2,1-benzoxazol-6-yl)propanoic acid
CID 105495890
3-(2-methyl-1,3-benzothiazol-5-yl)propanoic acid
CID 82286525

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The IUPAC name of 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid (CID 83842813) is 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The canonical SMILES for 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid is Cc1nc(Cl)n2ccc(CCC(=O)O)cc12.
What is the InChIKey of 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The InChIKey is ZLZNEKSHGVIAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-9-6-8(2-3-10(15)16)4-5-14(9)11(12)13-7/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid?
3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1-methylimidazo[1,5-a]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 83842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).