2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C19H20F2N2O2 — CID 136552332

IUPAC2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-5-1-3-14(18(16)21)11-13-6-9-23(10-7-13)12-17-15(19(24)25)4-2-8-22-17/h1-5,8,13H,6-7,9-12H2,(H,24,25)
InChIKeyFAWWQMYKXYPGJX-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.51
Rot. Bonds5

About 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 136552332) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID136552332
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-5-1-3-14(18(16)21)11-13-6-9-23(10-7-13)12-17-15(19(24)25)4-2-8-22-17/h1-5,8,13H,6-7,9-12H2,(H,24,25)
InChIKeyFAWWQMYKXYPGJX-UHFFFAOYSA-N
XLogP3.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 136552332) is 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCC(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is FAWWQMYKXYPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-5-1-3-14(18(16)21)11-13-6-9-23(10-7-13)12-17-15(19(24)25)4-2-8-22-17/h1-5,8,13H,6-7,9-12H2,(H,24,25).
What are the key properties of 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 136552332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).