ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate

C10H11ClF2N2O2 — CID 134675365

IUPACethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(CCl)nc1N
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-10(16)7-6(8(12)13)3-5(4-11)15-9(7)14/h3,8H,2,4H2,1H3,(H2,14,15)
InChIKeyGOYMAFUAJGYHCU-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate

ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134675365) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134675365
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Nameethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(CCl)nc1N
InChIInChI=1S/C10H11ClF2N2O2/c1-2-17-10(16)7-6(8(12)13)3-5(4-11)15-9(7)14/h3,8H,2,4H2,1H3,(H2,14,15)
InChIKeyGOYMAFUAJGYHCU-UHFFFAOYSA-N
XLogP2.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119013712
ethyl 2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104291
ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134684738
ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
ethyl 2-(chloromethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 133107022
diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
CID 162343069
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
CID 133101387
ethyl 3-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 134673743
ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663608
ethyl 6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylate
CID 134684758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate (CID 134675365) is ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)cc(CCl)nc1N.
What is the InChIKey of ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is GOYMAFUAJGYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c1-2-17-10(16)7-6(8(12)13)3-5(4-11)15-9(7)14/h3,8H,2,4H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate?
ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 264.66 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134675365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).