ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate

C10H11ClF2N2O2 — CID 134669265

IUPACethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(Cl)c(N)c1C(F)F
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-6(16)3-5-4-15-9(11)8(14)7(5)10(12)13/h4,10H,2-3,14H2,1H3
InChIKeyNLMZWQLEECGEIW-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate

ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134669265) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134669265
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Nameethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(Cl)c(N)c1C(F)F
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-6(16)3-5-4-15-9(11)8(14)7(5)10(12)13/h4,10H,2-3,14H2,1H3
InChIKeyNLMZWQLEECGEIW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134672291
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-[2-chloro-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134676476
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-[5-(aminomethyl)-4-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684866
ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate (CID 134669265) is ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(Cl)c(N)c1C(F)F.
What is the InChIKey of ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is NLMZWQLEECGEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c1-2-17-6(16)3-5-4-15-9(11)8(14)7(5)10(12)13/h4,10H,2-3,14H2,1H3.
What are the key properties of ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-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-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134669265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).