methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate

C9H9F3N2O2 — CID 134669289

IUPACmethyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(N)c(C(F)F)c1F
InChIInChI=1S/C9H9F3N2O2/c1-16-6(15)2-5-8(10)7(9(11)12)4(13)3-14-5/h3,9H,2,13H2,1H3
InChIKeyRDQXAQGTYHQMAM-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate

methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate (PubChem CID 134669289) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
PubChem CID134669289
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Namemethyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(N)c(C(F)F)c1F
InChIInChI=1S/C9H9F3N2O2/c1-16-6(15)2-5-8(10)7(9(11)12)4(13)3-14-5/h3,9H,2,13H2,1H3
InChIKeyRDQXAQGTYHQMAM-UHFFFAOYSA-N
XLogP1.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
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-[5-(difluoromethyl)-3-fluoro-4-methoxy-2-pyridinyl]acetate
CID 133105735
methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
CID 133105429
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate (CID 134669289) is methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate is COC(=O)Cc1ncc(N)c(C(F)F)c1F.
What is the InChIKey of methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
The InChIKey is RDQXAQGTYHQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-6(15)2-5-8(10)7(9(11)12)4(13)3-14-5/h3,9H,2,13H2,1H3.
What are the key properties of methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate?
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate has a molecular weight of 234.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 134669289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).