ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate

C9H9ClF2N2O2 — CID 134673659

IUPACethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(N)c1Cl
InChIInChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)5-6(10)4(13)3-14-7(5)8(11)12/h3,8H,2,13H2,1H3
InChIKeyMNTVIAXSBAUFSR-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.43
Rot. Bonds3

About ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate

ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134673659) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134673659
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Nameethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(N)c1Cl
InChIInChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)5-6(10)4(13)3-14-7(5)8(11)12/h3,8H,2,13H2,1H3
InChIKeyMNTVIAXSBAUFSR-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

ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134675027
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
ethyl 3-amino-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134673697

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate (CID 134673659) is ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)ncc(N)c1Cl.
What is the InChIKey of ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is MNTVIAXSBAUFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-2-16-9(15)5-6(10)4(13)3-14-7(5)8(11)12/h3,8H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
ethyl 5-amino-4-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 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134673659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).