methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate

C10H7ClF2N2O2 — CID 134674865

IUPACmethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(Cl)c(C#N)n1
InChIInChI=1S/C10H7ClF2N2O2/c1-17-8(16)3-5-2-6(10(12)13)9(11)7(4-14)15-5/h2,10H,3H2,1H3
InChIKeyASIOEOKZYPRELW-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134674865) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134674865
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Namemethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(Cl)c(C#N)n1
InChIInChI=1S/C10H7ClF2N2O2/c1-17-8(16)3-5-2-6(10(12)13)9(11)7(4-14)15-5/h2,10H,3H2,1H3
InChIKeyASIOEOKZYPRELW-UHFFFAOYSA-N
XLogP2.26
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861
5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 134662535
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134674865) is methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(Cl)c(C#N)n1.
What is the InChIKey of methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is ASIOEOKZYPRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-17-8(16)3-5-2-6(10(12)13)9(11)7(4-14)15-5/h2,10H,3H2,1H3.
What are the key properties of methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 260.63 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134674865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).