methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate

C10H9ClFNO2 — CID 131511463

IUPACmethyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc(Cl)c1F
InChIInChI=1S/C10H9ClFNO2/c1-15-10(14)6-4-7(5-2-3-5)13-9(11)8(6)12/h4-5H,2-3H2,1H3
InChIKeyGCGOCGCGMSIFOY-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.54
Rot. Bonds2

About methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate

methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate (PubChem CID 131511463) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate
PubChem CID131511463
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Namemethyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc(Cl)c1F
InChIInChI=1S/C10H9ClFNO2/c1-15-10(14)6-4-7(5-2-3-5)13-9(11)8(6)12/h4-5H,2-3H2,1H3
InChIKeyGCGOCGCGMSIFOY-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate (CID 131511463) is methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate is COC(=O)c1cc(C2CC2)nc(Cl)c1F.
What is the InChIKey of methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate?
The InChIKey is GCGOCGCGMSIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-15-10(14)6-4-7(5-2-3-5)13-9(11)8(6)12/h4-5H,2-3H2,1H3.
What are the key properties of methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate?
methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate has a molecular weight of 229.64 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 131511463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).