methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate

C14H12F2N2O2 — CID 66285458

IUPACmethyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2ccc(F)cc2F)ccn1
InChIInChI=1S/C14H12F2N2O2/c1-20-14(19)13-7-11(4-5-17-13)18-8-9-2-3-10(15)6-12(9)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQOXQHGPDGAHKSC-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.76
Rot. Bonds4

About methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate

methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate (PubChem CID 66285458) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
PubChem CID66285458
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCc2ccc(F)cc2F)ccn1
InChIInChI=1S/C14H12F2N2O2/c1-20-14(19)13-7-11(4-5-17-13)18-8-9-2-3-10(15)6-12(9)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQOXQHGPDGAHKSC-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
methyl 2-[(2,4-difluorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 115424235
methyl 4-[(2,4-difluorophenyl)methylamino]pyrimidine-2-carboxylate
CID 66285457
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
methyl 2-amino-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 62227778
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 2-chloro-6-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carboxylate
CID 89350854
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
CID 79492915
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate (CID 66285458) is methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate is COC(=O)c1cc(NCc2ccc(F)cc2F)ccn1.
What is the InChIKey of methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate?
The InChIKey is QOXQHGPDGAHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-20-14(19)13-7-11(4-5-17-13)18-8-9-2-3-10(15)6-12(9)16/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate?
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66285458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).