methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate

C11H8ClNO3 — CID 102416721

IUPACmethyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)ccnc1-c1ccco1
InChIInChI=1S/C11H8ClNO3/c1-15-11(14)9-7(12)4-5-13-10(9)8-3-2-6-16-8/h2-6H,1H3
InChIKeyRFMAPPMBEWSVEU-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.78
Rot. Bonds2

About methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate

methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate (PubChem CID 102416721) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
PubChem CID102416721
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Namemethyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)ccnc1-c1ccco1
InChIInChI=1S/C11H8ClNO3/c1-15-11(14)9-7(12)4-5-13-10(9)8-3-2-6-16-8/h2-6H,1H3
InChIKeyRFMAPPMBEWSVEU-UHFFFAOYSA-N
XLogP2.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 2-bromo-4-chloropyridine-3-carboxylate
CID 87513187
methyl 3-(furan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxylate
CID 135060127
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
methyl 2,4-dichloro-3-(furan-2-yl)benzoate
CID 168526660
methyl 4-chloro-5-(furan-2-yl)-2-methyl-1-propan-2-ylpyrrole-3-carboxylate
CID 91672482
methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561
methyl 2-chloro-4-(methylamino)pyridine-3-carboxylate
CID 87532805
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate (CID 102416721) is methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate is COC(=O)c1c(Cl)ccnc1-c1ccco1.
What is the InChIKey of methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate?
The InChIKey is RFMAPPMBEWSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-15-11(14)9-7(12)4-5-13-10(9)8-3-2-6-16-8/h2-6H,1H3.
What are the key properties of methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate?
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate has a molecular weight of 237.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 102416721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).