ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate

C11H14F2N2O3 — CID 133102379

IUPACethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)F)c(O)c1CN
InChIInChI=1S/C11H14F2N2O3/c1-2-18-8(16)3-6-5-15-9(11(12)13)10(17)7(6)4-14/h5,11,17H,2-4,14H2,1H3
InChIKeyMKLRWMAVUKLJNP-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.29
Rot. Bonds5

About ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate

ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (PubChem CID 133102379) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
PubChem CID133102379
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)F)c(O)c1CN
InChIInChI=1S/C11H14F2N2O3/c1-2-18-8(16)3-6-5-15-9(11(12)13)10(17)7(6)4-14/h5,11,17H,2-4,14H2,1H3
InChIKeyMKLRWMAVUKLJNP-UHFFFAOYSA-N
XLogP1.29
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101951
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311
ethyl 2-[5-(aminomethyl)-4-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684866
ethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100614
ethyl 2-[3-(aminomethyl)-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 133101275
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104427
ethyl 2-[5-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 133100430
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (CID 133102379) is ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(C(F)F)c(O)c1CN.
What is the InChIKey of ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The InChIKey is MKLRWMAVUKLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-2-18-8(16)3-6-5-15-9(11(12)13)10(17)7(6)4-14/h5,11,17H,2-4,14H2,1H3.
What are the key properties of ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate has a molecular weight of 260.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is sourced from PubChem (CID 133102379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).