2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine

C15H15ClN2 — CID 66232998

IUPAC2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESClc1ccc(N2CCCc3ccccc3C2)nc1
InChIInChI=1S/C15H15ClN2/c16-14-7-8-15(17-10-14)18-9-3-6-12-4-1-2-5-13(12)11-18/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyUCHIDJWSCKOWAP-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.69
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine

2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 66232998) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID66232998
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESClc1ccc(N2CCCc3ccccc3C2)nc1
InChIInChI=1S/C15H15ClN2/c16-14-7-8-15(17-10-14)18-9-3-6-12-4-1-2-5-13(12)11-18/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyUCHIDJWSCKOWAP-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
CID 80652652
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 115468950
5-chloro-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 172881511
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456045
4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
CID 63155391
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
2-(4-chlorophenoxy)-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]acetamide
CID 113013135
5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80830671
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
2-(3,6-dimethylpyrazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 133470623

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine (CID 66232998) is 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine is Clc1ccc(N2CCCc3ccccc3C2)nc1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is UCHIDJWSCKOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-14-7-8-15(17-10-14)18-9-3-6-12-4-1-2-5-13(12)11-18/h1-2,4-5,7-8,10H,3,6,9,11H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine?
2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 258.75 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 66232998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).