ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate

C9H11ClN2O2 — CID 20627001

IUPACethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1NC
InChIInChI=1S/C9H11ClN2O2/c1-3-14-9(13)6-5-12-8(10)4-7(6)11-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyDEAFVBVKIMXSND-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.95
Rot. Bonds3

About ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate

ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate (PubChem CID 20627001) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
PubChem CID20627001
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Nameethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1NC
InChIInChI=1S/C9H11ClN2O2/c1-3-14-9(13)6-5-12-8(10)4-7(6)11-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyDEAFVBVKIMXSND-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.95
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

[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
ethyl 6-chloro-4-[(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 86657942
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
CID 134484591
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 6-chloro-4-[[(2S)-2-hydroxycyclopentyl]amino]pyridine-3-carboxylate
CID 90134297
ethyl 6-chloro-4-[(3-formylcyclobutyl)amino]pyridine-3-carboxylate
CID 90134379
ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate
CID 118206480
ethyl 6-chloro-4-nitropyridine-3-carboxylate
CID 133097776
ethyl 6-chloro-4-[[(3E,5Z,7Z,9Z)-dodeca-1,3,5,7,9,11-hexaen-4-yl]amino]pyridine-3-carboxylate
CID 89335323
ethyl 6-chloro-4-[(4-fluorooxan-3-yl)amino]pyridine-3-carboxylate
CID 118206094

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate (CID 20627001) is ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)cc1NC.
What is the InChIKey of ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
The InChIKey is DEAFVBVKIMXSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-14-9(13)6-5-12-8(10)4-7(6)11-2/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate?
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate has a molecular weight of 214.65 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 20627001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).