ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate

C10H11ClF2N2O2 — CID 134669264

IUPACethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C(F)F)c1Cl
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-8(16)4-6-9(11)5(10(12)13)3-7(14)15-6/h3,10H,2,4H2,1H3,(H2,14,15)
InChIKeyIBDMGARNCVPZOC-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate

ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134669264) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134669264
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Nameethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C(F)F)c1Cl
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-8(16)4-6-9(11)5(10(12)13)3-7(14)15-6/h3,10H,2,4H2,1H3,(H2,14,15)
InChIKeyIBDMGARNCVPZOC-UHFFFAOYSA-N
XLogP2.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-[4-amino-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683959
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133088380
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
ethyl 2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673847
ethyl 2-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134669264) is ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1nc(N)cc(C(F)F)c1Cl.
What is the InChIKey of ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is IBDMGARNCVPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c1-2-17-8(16)4-6-9(11)5(10(12)13)3-7(14)15-6/h3,10H,2,4H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 264.66 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).