7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride

C12H15ClN2O3 — CID 164855215

IUPAC7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(n1)CC(C1(O)CC1)NC2
InChIInChI=1S/C12H14N2O3.ClH/c15-11(16)8-2-1-7-6-13-10(5-9(7)14-8)12(17)3-4-12;/h1-2,10,13,17H,3-6H2,(H,15,16);1H
InChIKeyYDQNWBCORHVGFH-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.74
Rot. Bonds2

About 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride

7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride (PubChem CID 164855215) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride
PubChem CID164855215
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(n1)CC(C1(O)CC1)NC2
InChIInChI=1S/C12H14N2O3.ClH/c15-11(16)8-2-1-7-6-13-10(5-9(7)14-8)12(17)3-4-12;/h1-2,10,13,17H,3-6H2,(H,15,16);1H
InChIKeyYDQNWBCORHVGFH-UHFFFAOYSA-N
XLogP0.74
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride (CID 164855215) is 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(n1)CC(C1(O)CC1)NC2.
What is the InChIKey of 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride?
The InChIKey is YDQNWBCORHVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.ClH/c15-11(16)8-2-1-7-6-13-10(5-9(7)14-8)12(17)3-4-12;/h1-2,10,13,17H,3-6H2,(H,15,16);1H.
What are the key properties of 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride?
7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 164855215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).