methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate

C8H8ClNO3 — CID 58001759

IUPACmethyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CO)cc1Cl
InChIInChI=1S/C8H8ClNO3/c1-13-8(12)7-6(9)2-5(4-11)3-10-7/h2-3,11H,4H2,1H3
InChIKeyVPIOCRLBNUDYBP-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.01
Rot. Bonds2

About methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate

methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate (PubChem CID 58001759) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate
PubChem CID58001759
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Namemethyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CO)cc1Cl
InChIInChI=1S/C8H8ClNO3/c1-13-8(12)7-6(9)2-5(4-11)3-10-7/h2-3,11H,4H2,1H3
InChIKeyVPIOCRLBNUDYBP-UHFFFAOYSA-N
XLogP1.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate (CID 58001759) is methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate is COC(=O)c1ncc(CO)cc1Cl.
What is the InChIKey of methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate?
The InChIKey is VPIOCRLBNUDYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-13-8(12)7-6(9)2-5(4-11)3-10-7/h2-3,11H,4H2,1H3.
What are the key properties of methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate?
methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate has a molecular weight of 201.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 58001759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).