methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate

C10H11BrClNO4 — CID 170992761

IUPACmethyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(Cl)cnc(Br)c1C(OC)OC
InChIInChI=1S/C10H11BrClNO4/c1-15-9(14)6-5(12)4-13-8(11)7(6)10(16-2)17-3/h4,10H,1-3H3
InChIKeyDRDSRAPNWFBVBM-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.58
Rot. Bonds4

About methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate

methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate (PubChem CID 170992761) has the molecular formula C10H11BrClNO4 and a molecular weight of 324.56 g/mol. Its IUPAC name is methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
PubChem CID170992761
Molecular FormulaC10H11BrClNO4
Molecular Weight324.56 g/mol
Exact Mass322.96
IUPAC Namemethyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(Cl)cnc(Br)c1C(OC)OC
InChIInChI=1S/C10H11BrClNO4/c1-15-9(14)6-5(12)4-13-8(11)7(6)10(16-2)17-3/h4,10H,1-3H3
InChIKeyDRDSRAPNWFBVBM-UHFFFAOYSA-N
XLogP2.58
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate (CID 170992761) is methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate is COC(=O)c1c(Cl)cnc(Br)c1C(OC)OC.
What is the InChIKey of methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
The InChIKey is DRDSRAPNWFBVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO4/c1-15-9(14)6-5(12)4-13-8(11)7(6)10(16-2)17-3/h4,10H,1-3H3.
What are the key properties of methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate has a molecular weight of 324.56 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate is sourced from PubChem (CID 170992761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).