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

C10H7ClF2N2O2 — CID 134674119

IUPACmethyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(Cl)c(C#N)c1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-17-8(16)2-7-9(10(12)13)5(3-14)6(11)4-15-7/h4,10H,2H2,1H3
InChIKeyRPAQZKKNVKGTEM-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.26
Rot. Bonds3

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

methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134674119) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134674119
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Namemethyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(Cl)c(C#N)c1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-17-8(16)2-7-9(10(12)13)5(3-14)6(11)4-15-7/h4,10H,2H2,1H3
InChIKeyRPAQZKKNVKGTEM-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-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
methyl 2-[5-cyano-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134664036
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071413
methyl 2-[4-chloro-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134684486
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134676457
methyl 2-[4-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686507
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130099195
ethyl 2-[3-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134685984

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate (CID 134674119) is methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1ncc(Cl)c(C#N)c1C(F)F.
What is the InChIKey of methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is RPAQZKKNVKGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-17-8(16)2-7-9(10(12)13)5(3-14)6(11)4-15-7/h4,10H,2H2,1H3.
What are the key properties of methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-chloro-4-cyano-3-(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-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134674119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).