methyl 2,3-diamino-5-fluoropyridine-4-carboxylate

C7H8FN3O2 — CID 141331612

IUPACmethyl 2,3-diamino-5-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(N)c1N
InChIInChI=1S/C7H8FN3O2/c1-13-7(12)4-3(8)2-11-6(10)5(4)9/h2H,9H2,1H3,(H2,10,11)
InChIKeyKFEQZERKLHRCGP-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.17
Rot. Bonds1

About methyl 2,3-diamino-5-fluoropyridine-4-carboxylate

methyl 2,3-diamino-5-fluoropyridine-4-carboxylate (PubChem CID 141331612) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is methyl 2,3-diamino-5-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-diamino-5-fluoropyridine-4-carboxylate
PubChem CID141331612
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Namemethyl 2,3-diamino-5-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(N)c1N
InChIInChI=1S/C7H8FN3O2/c1-13-7(12)4-3(8)2-11-6(10)5(4)9/h2H,9H2,1H3,(H2,10,11)
InChIKeyKFEQZERKLHRCGP-UHFFFAOYSA-N
XLogP0.17
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-diamino-5-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 2,3-diamino-5-fluoropyridine-4-carboxylate (CID 141331612) is methyl 2,3-diamino-5-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 2,3-diamino-5-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 2,3-diamino-5-fluoropyridine-4-carboxylate is COC(=O)c1c(F)cnc(N)c1N.
What is the InChIKey of methyl 2,3-diamino-5-fluoropyridine-4-carboxylate?
The InChIKey is KFEQZERKLHRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-13-7(12)4-3(8)2-11-6(10)5(4)9/h2H,9H2,1H3,(H2,10,11).
What are the key properties of methyl 2,3-diamino-5-fluoropyridine-4-carboxylate?
methyl 2,3-diamino-5-fluoropyridine-4-carboxylate has a molecular weight of 185.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-diamino-5-fluoropyridine-4-carboxylate is sourced from PubChem (CID 141331612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).