2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid

C15H17FN2O2 — CID 70495803

IUPAC2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1C1C2CC3CC1CN(C3)C2
InChIInChI=1S/C15H17FN2O2/c16-11-3-12(15(19)20)14(17-4-11)13-9-1-8-2-10(13)7-18(5-8)6-9/h3-4,8-10,13H,1-2,5-7H2,(H,19,20)
InChIKeyPKSPAKNEHGMMBD-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.97
Rot. Bonds2

About 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid

2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid (PubChem CID 70495803) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid
PubChem CID70495803
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1C1C2CC3CC1CN(C3)C2
InChIInChI=1S/C15H17FN2O2/c16-11-3-12(15(19)20)14(17-4-11)13-9-1-8-2-10(13)7-18(5-8)6-9/h3-4,8-10,13H,1-2,5-7H2,(H,19,20)
InChIKeyPKSPAKNEHGMMBD-UHFFFAOYSA-N
XLogP1.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylnicotinic acid
CID 97489
3-Pyridinecarboxylic acid, 5-cyclohexyl-
CID 155788
Emd-50929
CID 11378949
5-(2-Fluorophenyl)pyridine-3-carboxylic acid
CID 20100007
[2,4'-Bipyridine]-5-carboxylic acid
CID 22709453
3-pyridin-3-yl-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463662
3-pyridin-3-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463663
6-[(3-Fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 110082209
5-[(2-Fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 110082210
5-[(4-Fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 110082211
5-(3-Fluoro-benzyl)-nicotinic acid
CID 110082212
5-[3-(Trifluoromethyl)phenyl]nicotinic acid
CID 16768557

Frequently Asked Questions

What is the IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid (CID 70495803) is 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1C1C2CC3CC1CN(C3)C2.
What is the InChIKey of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is PKSPAKNEHGMMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-3-12(15(19)20)14(17-4-11)13-9-1-8-2-10(13)7-18(5-8)6-9/h3-4,8-10,13H,1-2,5-7H2,(H,19,20).
What are the key properties of 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid?
2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 70495803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).