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

C9H9ClF2N2O2 — CID 134661772

IUPACmethyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(N)c(C(F)F)cc1Cl
InChIInChI=1S/C9H9ClF2N2O2/c1-16-7(15)3-6-5(10)2-4(8(11)12)9(13)14-6/h2,8H,3H2,1H3,(H2,13,14)
InChIKeyMCIMEFQYKCTVCM-UHFFFAOYSA-N
MW250.63 g/mol
LogP1.97
Rot. Bonds3

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

methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134661772) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134661772
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Namemethyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(N)c(C(F)F)cc1Cl
InChIInChI=1S/C9H9ClF2N2O2/c1-16-7(15)3-6-5(10)2-4(8(11)12)9(13)14-6/h2,8H,3H2,1H3,(H2,13,14)
InChIKeyMCIMEFQYKCTVCM-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-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
methyl 2-[3-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685443
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
methyl 2-[3-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673837
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134676745
methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029438
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate (CID 134661772) is methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(N)c(C(F)F)cc1Cl.
What is the InChIKey of methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is MCIMEFQYKCTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-16-7(15)3-6-5(10)2-4(8(11)12)9(13)14-6/h2,8H,3H2,1H3,(H2,13,14).
What are the key properties of methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-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-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134661772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).