2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one

C15H12Cl4N2O3 — CID 165067563

IUPAC2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ncc(Cl)cc1Cl.O=C(O)Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO.C7H5Cl2NO2/c1-5(12)2-8-7(10)3-6(9)4-11-8;8-4-1-5(9)6(10-3-4)2-7(11)12/h3-4H,2H2,1H3;1,3H,2H2,(H,11,12)
InChIKeySFGOSOVHPJRANI-UHFFFAOYSA-N
MW410.08 g/mol
LogP4.54
Rot. Bonds4

About 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one

2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one (PubChem CID 165067563) has the molecular formula C15H12Cl4N2O3 and a molecular weight of 410.08 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
PubChem CID165067563
Molecular FormulaC15H12Cl4N2O3
Molecular Weight410.08 g/mol
Exact Mass407.96
IUPAC Name2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ncc(Cl)cc1Cl.O=C(O)Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO.C7H5Cl2NO2/c1-5(12)2-8-7(10)3-6(9)4-11-8;8-4-1-5(9)6(10-3-4)2-7(11)12/h3-4H,2H2,1H3;1,3H,2H2,(H,11,12)
InChIKeySFGOSOVHPJRANI-UHFFFAOYSA-N
XLogP4.54
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
CID 165000552
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
CID 133088005
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133092375
2-(5-chloro-3-hydroxy-2-pyridinyl)acetamide
CID 133058864

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one (CID 165067563) is 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one is CC(=O)Cc1ncc(Cl)cc1Cl.O=C(O)Cc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one?
The InChIKey is SFGOSOVHPJRANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO.C7H5Cl2NO2/c1-5(12)2-8-7(10)3-6(9)4-11-8;8-4-1-5(9)6(10-3-4)2-7(11)12/h3-4H,2H2,1H3;1,3H,2H2,(H,11,12).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one?
2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one has a molecular weight of 410.08 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one is sourced from PubChem (CID 165067563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).