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

C9H9ClF2N2O2 — CID 134671239

IUPACethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(Cl)c1N
InChIInChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)4-3-5(8(11)12)14-7(10)6(4)13/h3,8H,2,13H2,1H3
InChIKeySZYHURBOSCWAEW-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.43
Rot. Bonds3

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

ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate (PubChem CID 134671239) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
PubChem CID134671239
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Nameethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(Cl)c1N
InChIInChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)4-3-5(8(11)12)14-7(10)6(4)13/h3,8H,2,13H2,1H3
InChIKeySZYHURBOSCWAEW-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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

ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 86618293
ethyl 3-(difluoromethyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 135201369
ethyl 6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134674225
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate (CID 134671239) is ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(C(F)F)nc(Cl)c1N.
What is the InChIKey of ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate?
The InChIKey is SZYHURBOSCWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)4-3-5(8(11)12)14-7(10)6(4)13/h3,8H,2,13H2,1H3.
What are the key properties of ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate?
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate has a molecular weight of 250.63 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134671239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).