methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate

C9H9Cl2NO3 — CID 155467042

IUPACmethyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Cl)cnc(CO)c1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-15-8(14)2-5-6(10)3-12-7(4-13)9(5)11/h3,13H,2,4H2,1H3
InChIKeyVLGPTRJGVDEPLT-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.60
Rot. Bonds3

About methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate

methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate (PubChem CID 155467042) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate
PubChem CID155467042
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Namemethyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Cl)cnc(CO)c1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-15-8(14)2-5-6(10)3-12-7(4-13)9(5)11/h3,13H,2,4H2,1H3
InChIKeyVLGPTRJGVDEPLT-UHFFFAOYSA-N
XLogP1.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
CID 121279026
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120
methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134674119
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
methyl 2-(5-chloro-2-cyano-4-pyridinyl)acetate
CID 130936538
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
CID 129318972

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate (CID 155467042) is methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate is COC(=O)Cc1c(Cl)cnc(CO)c1Cl.
What is the InChIKey of methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate?
The InChIKey is VLGPTRJGVDEPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-15-8(14)2-5-6(10)3-12-7(4-13)9(5)11/h3,13H,2,4H2,1H3.
What are the key properties of methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate?
methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate has a molecular weight of 250.08 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 155467042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).