methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate

C10H12F2N2O3 — CID 133102439

IUPACmethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(CN)cc(C(F)F)c1O
InChIInChI=1S/C10H12F2N2O3/c1-17-8(15)3-7-9(16)6(10(11)12)2-5(4-13)14-7/h2,10,16H,3-4,13H2,1H3
InChIKeyMRXVYEMXLKQUHD-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate

methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate (PubChem CID 133102439) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
PubChem CID133102439
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Namemethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(CN)cc(C(F)F)c1O
InChIInChI=1S/C10H12F2N2O3/c1-17-8(15)3-7-9(16)6(10(11)12)2-5(4-13)14-7/h2,10,16H,3-4,13H2,1H3
InChIKeyMRXVYEMXLKQUHD-UHFFFAOYSA-N
XLogP0.90
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861
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-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086990
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134676745
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084308
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate (CID 133102439) is methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate is COC(=O)Cc1nc(CN)cc(C(F)F)c1O.
What is the InChIKey of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
The InChIKey is MRXVYEMXLKQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-17-8(15)3-7-9(16)6(10(11)12)2-5(4-13)14-7/h2,10,16H,3-4,13H2,1H3.
What are the key properties of methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate?
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate has a molecular weight of 246.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate is sourced from PubChem (CID 133102439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).