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

C10H7ClF2N2O2 — CID 134674118

IUPACmethyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(C#N)c1Cl
InChIInChI=1S/C10H7ClF2N2O2/c1-17-8(16)2-5-6(10(12)13)4-15-7(3-14)9(5)11/h4,10H,2H2,1H3
InChIKeyDLHKWXITDDBQBH-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.26
Rot. Bonds3

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

methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate (PubChem CID 134674118) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
PubChem CID134674118
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Namemethyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(C#N)c1Cl
InChIInChI=1S/C10H7ClF2N2O2/c1-17-8(16)2-5-6(10(12)13)4-15-7(3-14)9(5)11/h4,10H,2H2,1H3
InChIKeyDLHKWXITDDBQBH-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

methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 134672356
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 4-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133106381
methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534
ethyl 2-[3-(chloromethyl)-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 133106105
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136
methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate (CID 134674118) is methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)cnc(C#N)c1Cl.
What is the InChIKey of methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate?
The InChIKey is DLHKWXITDDBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-17-8(16)2-5-6(10(12)13)4-15-7(3-14)9(5)11/h4,10H,2H2,1H3.
What are the key properties of methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate?
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-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-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 134674118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).