methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate

C8H9FN2O2 — CID 54594897

IUPACmethyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1cccc(F)n1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)5-10-7-4-2-3-6(9)11-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyJSZRDNBBEMPWGQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate

methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate (PubChem CID 54594897) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
PubChem CID54594897
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1cccc(F)n1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)5-10-7-4-2-3-6(9)11-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyJSZRDNBBEMPWGQ-UHFFFAOYSA-N
XLogP0.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
6-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115658515
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
CID 167160763
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
5-[(6-fluoro-2-pyridinyl)amino]pentanamide
CID 106239975
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
CID 115658048

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate (CID 54594897) is methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate is COC(=O)CNc1cccc(F)n1.
What is the InChIKey of methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate?
The InChIKey is JSZRDNBBEMPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)5-10-7-4-2-3-6(9)11-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate?
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate has a molecular weight of 184.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 54594897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).