methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate

C10H10ClFN2O2 — CID 118125607

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate
SMILESC=CCc1nc(C(=O)OC)c(Cl)c(N)c1F
InChIInChI=1S/C10H10ClFN2O2/c1-3-4-5-7(12)8(13)6(11)9(14-5)10(15)16-2/h3H,1,4H2,2H3,(H2,13,14)
InChIKeyFGIBXESMTUHKMB-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.97
Rot. Bonds3

About methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate (PubChem CID 118125607) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate
PubChem CID118125607
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate
SMILESC=CCc1nc(C(=O)OC)c(Cl)c(N)c1F
InChIInChI=1S/C10H10ClFN2O2/c1-3-4-5-7(12)8(13)6(11)9(14-5)10(15)16-2/h3H,1,4H2,2H3,(H2,13,14)
InChIKeyFGIBXESMTUHKMB-UHFFFAOYSA-N
XLogP1.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
CID 90408725
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
CID 90403719
methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-7-yl)pyridine-2-carboxylate
CID 90451080
methyl 4-amino-6-chloro-3-ethenyl-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-iodopyridine-2-carboxylate
CID 157301933
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 6-chloro-5-methyl-2-prop-2-enylpyridine-3-carboxylate
CID 135150551
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate
CID 90451064
methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
CID 90451077
methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-chloro-6-prop-2-enylpyridine-2-carboxylate
CID 118125606
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
CID 67974861

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate (CID 118125607) is methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate is C=CCc1nc(C(=O)OC)c(Cl)c(N)c1F.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate?
The InChIKey is FGIBXESMTUHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-3-4-5-7(12)8(13)6(11)9(14-5)10(15)16-2/h3H,1,4H2,2H3,(H2,13,14).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate has a molecular weight of 244.65 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate is sourced from PubChem (CID 118125607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).