methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate

C14H11F2NO2 — CID 139512431

IUPACmethyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H11F2NO2/c1-19-14(18)13-5-3-10(8-17-13)6-9-2-4-11(15)12(16)7-9/h2-5,7-8H,6H2,1H3
InChIKeyGSIGADULZVAMRN-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.74
Rot. Bonds3

About methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate

methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate (PubChem CID 139512431) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
PubChem CID139512431
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Namemethyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H11F2NO2/c1-19-14(18)13-5-3-10(8-17-13)6-9-2-4-11(15)12(16)7-9/h2-5,7-8H,6H2,1H3
InChIKeyGSIGADULZVAMRN-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 5-chloropyridine-2-carboxylate
CID 11298216
5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
CID 143473669
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
CID 159420112
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone
CID 167595493
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 139521632
methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869040
1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;2-methylpyrimidin-4-amine
CID 167696692
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate (CID 139512431) is methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate is COC(=O)c1ccc(Cc2ccc(F)c(F)c2)cn1.
What is the InChIKey of methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate?
The InChIKey is GSIGADULZVAMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-14(18)13-5-3-10(8-17-13)6-9-2-4-11(15)12(16)7-9/h2-5,7-8H,6H2,1H3.
What are the key properties of methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate?
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate has a molecular weight of 263.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 139512431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).