6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole

C15H13ClN2O — CID 116620449

IUPAC6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
SMILESCOc1ncccc1Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClN2O/c1-19-15-12(3-2-7-17-15)10-18-8-6-11-4-5-13(16)9-14(11)18/h2-9H,10H2,1H3
InChIKeyWOGVQMHXYZSACF-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.75
Rot. Bonds3

About 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole

6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole (PubChem CID 116620449) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole.

Molecular Properties

Compound Name6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
PubChem CID116620449
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
SMILESCOc1ncccc1Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClN2O/c1-19-15-12(3-2-7-17-15)10-18-8-6-11-4-5-13(16)9-14(11)18/h2-9H,10H2,1H3
InChIKeyWOGVQMHXYZSACF-UHFFFAOYSA-N
XLogP3.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole?
The IUPAC name of 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole (CID 116620449) is 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole.
What is the SMILES notation for 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole?
The canonical SMILES for 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole is COc1ncccc1Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole?
The InChIKey is WOGVQMHXYZSACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-15-12(3-2-7-17-15)10-18-8-6-11-4-5-13(16)9-14(11)18/h2-9H,10H2,1H3.
What are the key properties of 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole?
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole has a molecular weight of 272.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole is sourced from PubChem (CID 116620449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).