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

C9H9ClF2N2O2 — CID 134683940

IUPACmethyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(Cl)c1N
InChIInChI=1S/C9H9ClF2N2O2/c1-16-6(15)2-4-5(9(11)12)3-14-8(10)7(4)13/h3,9H,2,13H2,1H3
InChIKeyZKJZBJASIWWYJA-UHFFFAOYSA-N
MW250.63 g/mol
LogP1.97
Rot. Bonds3

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

methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate (PubChem CID 134683940) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
PubChem CID134683940
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Namemethyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnc(Cl)c1N
InChIInChI=1S/C9H9ClF2N2O2/c1-16-6(15)2-4-5(9(11)12)3-14-8(10)7(4)13/h3,9H,2,13H2,1H3
InChIKeyZKJZBJASIWWYJA-UHFFFAOYSA-N
XLogP1.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 51.97
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

methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 133103983
methyl 2-[5-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134684094
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133093498
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate (CID 134683940) is methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)cnc(Cl)c1N.
What is the InChIKey of methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate?
The InChIKey is ZKJZBJASIWWYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-16-6(15)2-4-5(9(11)12)3-14-8(10)7(4)13/h3,9H,2,13H2,1H3.
What are the key properties of methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate?
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate has a molecular weight of 250.63 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 134683940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).