3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

C12H15ClN2O3 — CID 73355252

IUPAC3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CC(O)CN(Cc2cccnc2)C1
InChIInChI=1S/C12H14N2O3.ClH/c15-11-4-10(12(16)17)7-14(8-11)6-9-2-1-3-13-5-9;/h1-5,11,15H,6-8H2,(H,16,17);1H
InChIKeyDYMQQTLZBFTSCN-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.69
Rot. Bonds3

About 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (PubChem CID 73355252) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
PubChem CID73355252
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CC(O)CN(Cc2cccnc2)C1
InChIInChI=1S/C12H14N2O3.ClH/c15-11-4-10(12(16)17)7-14(8-11)6-9-2-1-3-13-5-9;/h1-5,11,15H,6-8H2,(H,16,17);1H
InChIKeyDYMQQTLZBFTSCN-UHFFFAOYSA-N
XLogP0.69
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (CID 73355252) is 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is Cl.O=C(O)C1=CC(O)CN(Cc2cccnc2)C1.
What is the InChIKey of 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is DYMQQTLZBFTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.ClH/c15-11-4-10(12(16)17)7-14(8-11)6-9-2-1-3-13-5-9;/h1-5,11,15H,6-8H2,(H,16,17);1H.
What are the key properties of 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 73355252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).