ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate

C13H16ClFN2O2 — CID 118206480

IUPACethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1N[C@H]1CCC(F)C1
InChIInChI=1S/C13H16ClFN2O2/c1-2-19-13(18)10-7-16-12(14)6-11(10)17-9-4-3-8(15)5-9/h6-9H,2-5H2,1H3,(H,16,17)/t8?,9-/m0/s1
InChIKeyYAOOUQGXMNYFGG-GKAPJAKFSA-N
MW286.73 g/mol
LogP3.21
Rot. Bonds4

About ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate

ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate (PubChem CID 118206480) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate
PubChem CID118206480
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Nameethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1N[C@H]1CCC(F)C1
InChIInChI=1S/C13H16ClFN2O2/c1-2-19-13(18)10-7-16-12(14)6-11(10)17-9-4-3-8(15)5-9/h6-9H,2-5H2,1H3,(H,16,17)/t8?,9-/m0/s1
InChIKeyYAOOUQGXMNYFGG-GKAPJAKFSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 53.21
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 6-chloro-4-[(3-formylcyclobutyl)amino]pyridine-3-carboxylate
CID 90134379
ethyl 6-chloro-4-[[(2S)-2-hydroxycyclopentyl]amino]pyridine-3-carboxylate
CID 90134297
ethyl 6-chloro-4-[[4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]amino]pyridine-3-carboxylate
CID 146423212
ethyl 6-chloro-4-[(4-fluorooxan-3-yl)amino]pyridine-3-carboxylate
CID 118206094
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 6-chloro-4-[(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 86657942
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90154764
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 176871377
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate (CID 118206480) is ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)cc1N[C@H]1CCC(F)C1.
What is the InChIKey of ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate?
The InChIKey is YAOOUQGXMNYFGG-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-2-19-13(18)10-7-16-12(14)6-11(10)17-9-4-3-8(15)5-9/h6-9H,2-5H2,1H3,(H,16,17)/t8?,9-/m0/s1.
What are the key properties of ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate?
ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate has a molecular weight of 286.73 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 118206480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).