methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate

C9H8ClFN2O2 — CID 118125602

IUPACmethyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate
SMILESC=C(F)c1cc(N)c(Cl)c(C(=O)OC)n1
InChIInChI=1S/C9H8ClFN2O2/c1-4(11)6-3-5(12)7(10)8(13-6)9(14)15-2/h3H,1H2,2H3,(H2,12,13)
InChIKeyWOFIAQTVWDQOLQ-UHFFFAOYSA-N
MW230.63 g/mol
LogP2.04
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate (PubChem CID 118125602) has the molecular formula C9H8ClFN2O2 and a molecular weight of 230.63 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate
PubChem CID118125602
Molecular FormulaC9H8ClFN2O2
Molecular Weight230.63 g/mol
Exact Mass230.03
IUPAC Namemethyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate
SMILESC=C(F)c1cc(N)c(Cl)c(C(=O)OC)n1
InChIInChI=1S/C9H8ClFN2O2/c1-4(11)6-3-5(12)7(10)8(13-6)9(14)15-2/h3H,1H2,2H3,(H2,12,13)
InChIKeyWOFIAQTVWDQOLQ-UHFFFAOYSA-N
XLogP2.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate (CID 118125602) is methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate is C=C(F)c1cc(N)c(Cl)c(C(=O)OC)n1.
What is the InChIKey of methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate?
The InChIKey is WOFIAQTVWDQOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O2/c1-4(11)6-3-5(12)7(10)8(13-6)9(14)15-2/h3H,1H2,2H3,(H2,12,13).
What are the key properties of methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate has a molecular weight of 230.63 g/mol, XLogP of 2.04, 2 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-6-(1-fluoroethenyl)pyridine-2-carboxylate is sourced from PubChem (CID 118125602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).