ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate

C15H14F2N2O2 — CID 62048016

IUPACethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccc(F)cc2F)nc1
InChIInChI=1S/C15H14F2N2O2/c1-2-21-15(20)11-4-6-14(19-9-11)18-8-10-3-5-12(16)7-13(10)17/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyDHZPWICPAWKMOS-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.15
Rot. Bonds5

About ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate

ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate (PubChem CID 62048016) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
PubChem CID62048016
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Nameethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccc(F)cc2F)nc1
InChIInChI=1S/C15H14F2N2O2/c1-2-21-15(20)11-4-6-14(19-9-11)18-8-10-3-5-12(16)7-13(10)17/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyDHZPWICPAWKMOS-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
CID 60505506
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79530640
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate (CID 62048016) is ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccc(F)cc2F)nc1.
What is the InChIKey of ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is DHZPWICPAWKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-21-15(20)11-4-6-14(19-9-11)18-8-10-3-5-12(16)7-13(10)17/h3-7,9H,2,8H2,1H3,(H,18,19).
What are the key properties of ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 62048016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).