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

C9H9ClF2N2O2 — CID 134683935

IUPACmethyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(Cl)c(N)nc1C(F)F
InChIInChI=1S/C9H9ClF2N2O2/c1-16-6(15)3-4-2-5(10)9(13)14-7(4)8(11)12/h2,8H,3H2,1H3,(H2,13,14)
InChIKeyYBBNUBOBGNKNQI-UHFFFAOYSA-N
MW250.63 g/mol
LogP1.97
Rot. Bonds3

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

methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134683935) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134683935
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Namemethyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(Cl)c(N)nc1C(F)F
InChIInChI=1S/C9H9ClF2N2O2/c1-16-6(15)3-4-2-5(10)9(13)14-7(4)8(11)12/h2,8H,3H2,1H3,(H2,13,14)
InChIKeyYBBNUBOBGNKNQI-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

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Related Compounds

methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683410
methyl 2-[6-chloro-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134672190
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
methyl 2-[5-amino-4-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133088393
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134685308
methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101263
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104357
methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
CID 133100381
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate (CID 134683935) is methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cc(Cl)c(N)nc1C(F)F.
What is the InChIKey of methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is YBBNUBOBGNKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-16-6(15)3-4-2-5(10)9(13)14-7(4)8(11)12/h2,8H,3H2,1H3,(H2,13,14).
What are the key properties of methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-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-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134683935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).