methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate

C9H10F2N2O3 — CID 133093498

IUPACmethyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)ncc(O)c1N
InChIInChI=1S/C9H10F2N2O3/c1-16-6(15)2-4-7(12)5(14)3-13-8(4)9(10)11/h3,9,14H,2H2,1H3,(H2,12,13)
InChIKeyJWDVQXZFWOIUMB-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.02
Rot. Bonds3

About methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate

methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (PubChem CID 133093498) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
PubChem CID133093498
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)ncc(O)c1N
InChIInChI=1S/C9H10F2N2O3/c1-16-6(15)2-4-7(12)5(14)3-13-8(4)9(10)11/h3,9,14H,2H2,1H3,(H2,12,13)
InChIKeyJWDVQXZFWOIUMB-UHFFFAOYSA-N
XLogP1.02
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102752
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
4-amino-6-(difluoromethyl)-5-fluoropyridin-3-ol
CID 118806774
methyl 2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134685348
methyl 2-[4-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674686
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 134672356

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (CID 133093498) is methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)ncc(O)c1N.
What is the InChIKey of methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The InChIKey is JWDVQXZFWOIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-6(15)2-4-7(12)5(14)3-13-8(4)9(10)11/h3,9,14H,2H2,1H3,(H2,12,13).
What are the key properties of methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate has a molecular weight of 232.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is sourced from PubChem (CID 133093498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).