ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate

C9H9ClF2N2O2 — CID 134661763

IUPACethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(N)nc1C(F)F
InChIInChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)4-3-5(10)8(13)14-6(4)7(11)12/h3,7H,2H2,1H3,(H2,13,14)
InChIKeyXRAFPNTTXVKIOQ-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.43
Rot. Bonds3

About ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate

ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134661763) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134661763
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Nameethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(N)nc1C(F)F
InChIInChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)4-3-5(10)8(13)14-6(4)7(11)12/h3,7H,2H2,1H3,(H2,13,14)
InChIKeyXRAFPNTTXVKIOQ-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

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Related Compounds

6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 86618293
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate
CID 133098489
ethyl 2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-3-carboxylate
CID 133100322

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate (CID 134661763) is ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(Cl)c(N)nc1C(F)F.
What is the InChIKey of ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is XRAFPNTTXVKIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)4-3-5(10)8(13)14-6(4)7(11)12/h3,7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-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 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134661763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).