methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate

C8H9FN2O2 — CID 61312351

IUPACmethyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyMYWJPZSFBQNZPW-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate

methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate (PubChem CID 61312351) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
PubChem CID61312351
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CNc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKeyMYWJPZSFBQNZPW-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

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Related Compounds

(E)-3-[6-[(2-methoxy-2-oxoethyl)amino]-3-pyridinyl]prop-2-enoate
CID 22139115
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate
CID 171703959
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
3-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 61313740
1-[(5-fluoro-2-pyridinyl)amino]-4-(4-methylpiperazin-1-yl)butan-2-one
CID 148636888
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
methyl 2-[[5-[(5E)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]amino]acetate
CID 58926301
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate (CID 61312351) is methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate is COC(=O)CNc1ccc(F)cn1.
What is the InChIKey of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
The InChIKey is MYWJPZSFBQNZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate?
methyl 2-[(5-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-[(5-fluoro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 61312351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).