2-(3,4-dichloro-2-pyridinyl)acetic acid

C7H5Cl2NO2 — CID 130838385

IUPAC2-(3,4-dichloro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1nccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-4-1-2-10-5(7(4)9)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyTVDRHHXCXGBCBL-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.02
Rot. Bonds2

About 2-(3,4-dichloro-2-pyridinyl)acetic acid

2-(3,4-dichloro-2-pyridinyl)acetic acid (PubChem CID 130838385) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is 2-(3,4-dichloro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichloro-2-pyridinyl)acetic acid
PubChem CID130838385
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name2-(3,4-dichloro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1nccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-4-1-2-10-5(7(4)9)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyTVDRHHXCXGBCBL-UHFFFAOYSA-N
XLogP2.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichloro-2-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637597
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
CID 76850504
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
N-[(3,4-dichloro-2-pyridinyl)methyl]formamide
CID 139487439
3,4-dichloro-2-(2-ethoxyethyl)pyridine
CID 70252930
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3,4-dichloro-2-pyridinyl)acetic acid (CID 130838385) is 2-(3,4-dichloro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3,4-dichloro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3,4-dichloro-2-pyridinyl)acetic acid is O=C(O)Cc1nccc(Cl)c1Cl.
What is the InChIKey of 2-(3,4-dichloro-2-pyridinyl)acetic acid?
The InChIKey is TVDRHHXCXGBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-4-1-2-10-5(7(4)9)3-6(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 2-(3,4-dichloro-2-pyridinyl)acetic acid?
2-(3,4-dichloro-2-pyridinyl)acetic acid has a molecular weight of 206.03 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-2-pyridinyl)acetic acid is sourced from PubChem (CID 130838385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).