7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline

C14H13ClN2 — CID 54509971

IUPAC7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)C(c1ccccn1)NCC2
InChIInChI=1S/C14H13ClN2/c15-11-5-4-10-6-8-17-14(12(10)9-11)13-3-1-2-7-16-13/h1-5,7,9,14,17H,6,8H2
InChIKeyYIKKMOZNJSHVQQ-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.97
Rot. Bonds1

About 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline

7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 54509971) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID54509971
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)C(c1ccccn1)NCC2
InChIInChI=1S/C14H13ClN2/c15-11-5-4-10-6-8-17-14(12(10)9-11)13-3-1-2-7-16-13/h1-5,7,9,14,17H,6,8H2
InChIKeyYIKKMOZNJSHVQQ-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 54509971) is 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline is Clc1ccc2c(c1)C(c1ccccn1)NCC2.
What is the InChIKey of 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YIKKMOZNJSHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-11-5-4-10-6-8-17-14(12(10)9-11)13-3-1-2-7-16-13/h1-5,7,9,14,17H,6,8H2.
What are the key properties of 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 244.73 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 54509971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).