methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate

C10H8F2N2O3 — CID 134685667

IUPACmethyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cc(C#N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C10H8F2N2O3/c1-17-7(15)3-6-2-5(4-13)8(9(11)12)10(16)14-6/h2,9H,3H2,1H3,(H,14,16)
InChIKeyRWIRQRKRKGNKMB-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.90
Rot. Bonds3

About methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate

methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate (PubChem CID 134685667) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
PubChem CID134685667
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Namemethyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cc(C#N)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C10H8F2N2O3/c1-17-7(15)3-6-2-5(4-13)8(9(11)12)10(16)14-6/h2,9H,3H2,1H3,(H,14,16)
InChIKeyRWIRQRKRKGNKMB-UHFFFAOYSA-N
XLogP0.90
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(difluoromethyl)-4-iodo-6-oxo-1H-pyridin-2-yl]acetate
CID 133103677
methyl 2-[5-(difluoromethyl)-4-nitro-6-oxo-1H-pyridin-2-yl]acetate
CID 133102659
methyl 2-[3-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134684975
methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 133107710
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685224
methyl 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
methyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetate
CID 134675730
ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134685670
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
methyl 2-[5-cyano-4-(difluoromethyl)-2-ethylphenyl]acetate
CID 134613383

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate (CID 134685667) is methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate is COC(=O)Cc1cc(C#N)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is RWIRQRKRKGNKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-17-7(15)3-6-2-5(4-13)8(9(11)12)10(16)14-6/h2,9H,3H2,1H3,(H,14,16).
What are the key properties of methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate?
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 242.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134685667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).