methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate

C9H10F2N2O3 — CID 133093457

IUPACmethyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(N)c(C(F)F)cc1O
InChIInChI=1S/C9H10F2N2O3/c1-16-7(15)3-5-6(14)2-4(8(10)11)9(12)13-5/h2,8,14H,3H2,1H3,(H2,12,13)
InChIKeyPMBSKBWSIOFSBL-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.02
Rot. Bonds3

About methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate

methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate (PubChem CID 133093457) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
PubChem CID133093457
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(N)c(C(F)F)cc1O
InChIInChI=1S/C9H10F2N2O3/c1-16-7(15)3-5-6(14)2-4(8(10)11)9(12)13-5/h2,8,14H,3H2,1H3,(H2,12,13)
InChIKeyPMBSKBWSIOFSBL-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

methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133102439
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
methyl 2-[6-(aminomethyl)-5-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134670892
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate (CID 133093457) is methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate is COC(=O)Cc1nc(N)c(C(F)F)cc1O.
What is the InChIKey of methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The InChIKey is PMBSKBWSIOFSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-7(15)3-5-6(14)2-4(8(10)11)9(12)13-5/h2,8,14H,3H2,1H3,(H2,12,13).
What are the key properties of methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-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-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate is sourced from PubChem (CID 133093457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).