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

C11H14F2N2O2 — CID 134670432

IUPACethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C)c1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-3-17-9(16)5-7-10(11(12)13)6(2)4-8(14)15-7/h4,11H,3,5H2,1-2H3,(H2,14,15)
InChIKeyBBUNIKKQTFCTCT-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.02
Rot. Bonds4

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

ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate (PubChem CID 134670432) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
PubChem CID134670432
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C)c1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-3-17-9(16)5-7-10(11(12)13)6(2)4-8(14)15-7/h4,11H,3,5H2,1-2H3,(H2,14,15)
InChIKeyBBUNIKKQTFCTCT-UHFFFAOYSA-N
XLogP2.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]acetate
CID 133101760
ethyl 2-[3-(difluoromethyl)-6-methoxy-4-methyl-2-pyridinyl]acetate
CID 133100324
ethyl 2-[3-(difluoromethyl)-4-methyl-6-nitro-2-pyridinyl]acetate
CID 133099088
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134675354
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
ethyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134673591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate (CID 134670432) is ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate is CCOC(=O)Cc1nc(N)cc(C)c1C(F)F.
What is the InChIKey of ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
The InChIKey is BBUNIKKQTFCTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-17-9(16)5-7-10(11(12)13)6(2)4-8(14)15-7/h4,11H,3,5H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate?
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate has a molecular weight of 244.24 g/mol, XLogP of 2.02, 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-(difluoromethyl)-4-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 134670432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).