methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate

C9H9BrF2N2O2 — CID 134669816

IUPACmethyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cc(N)nc1Br
InChIInChI=1S/C9H9BrF2N2O2/c1-16-7(15)3-4-5(9(11)12)2-6(13)14-8(4)10/h2,9H,3H2,1H3,(H2,13,14)
InChIKeyCCTLGWTZKWMCAQ-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.08
Rot. Bonds3

About methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134669816) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134669816
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Namemethyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cc(N)nc1Br
InChIInChI=1S/C9H9BrF2N2O2/c1-16-7(15)3-4-5(9(11)12)2-6(13)14-8(4)10/h2,9H,3H2,1H3,(H2,13,14)
InChIKeyCCTLGWTZKWMCAQ-UHFFFAOYSA-N
XLogP2.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.08
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-bromo-6-cyano-4-(difluoromethyl)-3-pyridinyl]acetate
CID 171029556
methyl 2-[6-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134671729
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
methyl 2-[6-bromo-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134686094
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134675916
methyl 2-[2-bromo-5-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 134685063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate (CID 134669816) is methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)cc(N)nc1Br.
What is the InChIKey of methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is CCTLGWTZKWMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-16-7(15)3-4-5(9(11)12)2-6(13)14-8(4)10/h2,9H,3H2,1H3,(H2,13,14).
What are the key properties of methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 295.08 g/mol, XLogP of 2.08, 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-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134669816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).