1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole

C14H19ClN2 — CID 82747148

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESClc1ccnc(CN2CCC3CCCCC32)c1
InChIInChI=1S/C14H19ClN2/c15-12-5-7-16-13(9-12)10-17-8-6-11-3-1-2-4-14(11)17/h5,7,9,11,14H,1-4,6,8,10H2
InChIKeyOLNMJRSJJKRIDE-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.50
Rot. Bonds2

About 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole

1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 82747148) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID82747148
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESClc1ccnc(CN2CCC3CCCCC32)c1
InChIInChI=1S/C14H19ClN2/c15-12-5-7-16-13(9-12)10-17-8-6-11-3-1-2-4-14(11)17/h5,7,9,11,14H,1-4,6,8,10H2
InChIKeyOLNMJRSJJKRIDE-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 130834648
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethylpyridin-4-amine
CID 102728154
4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 83053677
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]methanamine
CID 63888042
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol
CID 82983087
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
CID 82753407
4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine
CID 79254901
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
1-[2-(chloromethyl)-4-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750360
1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
CID 79255463
1-[(3-bromo-4-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750472

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole (CID 82747148) is 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole is Clc1ccnc(CN2CCC3CCCCC32)c1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is OLNMJRSJJKRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-12-5-7-16-13(9-12)10-17-8-6-11-3-1-2-4-14(11)17/h5,7,9,11,14H,1-4,6,8,10H2.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole?
1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 250.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 82747148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).