5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline

C14H13ClN2 — CID 22605935

IUPAC5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESClc1cccc2c1CCN(c1ccncc1)C2
InChIInChI=1S/C14H13ClN2/c15-14-3-1-2-11-10-17(9-6-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
InChIKeyMSAAQJGBKBAPHK-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.30
Rot. Bonds1

About 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline

5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 22605935) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
PubChem CID22605935
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESClc1cccc2c1CCN(c1ccncc1)C2
InChIInChI=1S/C14H13ClN2/c15-14-3-1-2-11-10-17(9-6-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
InChIKeyMSAAQJGBKBAPHK-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline (CID 22605935) is 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is Clc1cccc2c1CCN(c1ccncc1)C2.
What is the InChIKey of 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is MSAAQJGBKBAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-14-3-1-2-11-10-17(9-6-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2.
What are the key properties of 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 244.73 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22605935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).