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

C10H8F2N2O3 — CID 134672356

IUPACmethyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)cnc(C#N)c1C(F)F
InChIInChI=1S/C10H8F2N2O3/c1-17-8(16)2-5-7(15)4-14-6(3-13)9(5)10(11)12/h4,10,15H,2H2,1H3
InChIKeyXRRBTZAZIMSWKJ-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.31
Rot. Bonds3

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

methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate (PubChem CID 134672356) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
PubChem CID134672356
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Namemethyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)cnc(C#N)c1C(F)F
InChIInChI=1S/C10H8F2N2O3/c1-17-8(16)2-5-7(15)4-14-6(3-13)9(5)10(11)12/h4,10,15H,2H2,1H3
InChIKeyXRRBTZAZIMSWKJ-UHFFFAOYSA-N
XLogP1.31
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102752
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
ethyl 2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106920
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133093498
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate (CID 134672356) is methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate is COC(=O)Cc1c(O)cnc(C#N)c1C(F)F.
What is the InChIKey of methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
The InChIKey is XRRBTZAZIMSWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-17-8(16)2-5-7(15)4-14-6(3-13)9(5)10(11)12/h4,10,15H,2H2,1H3.
What are the key properties of methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate?
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate has a molecular weight of 242.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate is sourced from PubChem (CID 134672356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).