2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid

C10H8ClNO3 — CID 115035224

IUPAC2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid
SMILESO=C(O)CN1Cc2c(Cl)cccc2C1=O
InChIInChI=1S/C10H8ClNO3/c11-8-3-1-2-6-7(8)4-12(10(6)15)5-9(13)14/h1-3H,4-5H2,(H,13,14)
InChIKeyOQVDTYNTCBQXHV-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.38
Rot. Bonds2

About 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid

2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid (PubChem CID 115035224) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid
PubChem CID115035224
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid
SMILESO=C(O)CN1Cc2c(Cl)cccc2C1=O
InChIInChI=1S/C10H8ClNO3/c11-8-3-1-2-6-7(8)4-12(10(6)15)5-9(13)14/h1-3H,4-5H2,(H,13,14)
InChIKeyOQVDTYNTCBQXHV-UHFFFAOYSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
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CID 115040649
2-(5-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127421
2-(5-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127963
2-[[7-(4-amino-3,5-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enamide
CID 162528635
2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105479967
2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279794
2-[2-(4-chlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62023062
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115023854
2-(6-chloro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 84635462
3-(2-methyl-1-oxo-3H-isoindol-4-yl)propanoic acid
CID 84724459
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]acetic acid
CID 17040176

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid?
The IUPAC name of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid (CID 115035224) is 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid is O=C(O)CN1Cc2c(Cl)cccc2C1=O.
What is the InChIKey of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid?
The InChIKey is OQVDTYNTCBQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-8-3-1-2-6-7(8)4-12(10(6)15)5-9(13)14/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid?
2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid has a molecular weight of 225.63 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid is sourced from PubChem (CID 115035224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).