6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole

C16H14Cl2N2O — CID 141347661

IUPAC6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
SMILESCOc1cc2cc(C)n(Cc3ccc(Cl)cn3)c2cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-10-5-11-6-16(21-2)14(18)7-15(11)20(10)9-13-4-3-12(17)8-19-13/h3-8H,9H2,1-2H3
InChIKeyBQYKERIMLSPOKS-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.71
Rot. Bonds3

About 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole

6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole (PubChem CID 141347661) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole.

Molecular Properties

Compound Name6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
PubChem CID141347661
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
SMILESCOc1cc2cc(C)n(Cc3ccc(Cl)cn3)c2cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-10-5-11-6-16(21-2)14(18)7-15(11)20(10)9-13-4-3-12(17)8-19-13/h3-8H,9H2,1-2H3
InChIKeyBQYKERIMLSPOKS-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
CID 82499498
1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347653
4-[(5-chloro-2-pyridinyl)methyl]-2-methyl-3-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
CID 177220531
(6-chloro-5-methoxy-2-methylindol-1-yl)-(4-methylphenyl)methanethione
CID 90997343
5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
CID 170746947
5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
CID 133465592
6-(3-chloro-4-propan-2-yloxyanilino)-1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578653
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
1-benzyl-6-chloro-2-methylindole
CID 121404424
(3aR,5R,6R,7aS)-2-[(5-chloro-2-pyridinyl)methyl]-6-(2-methoxyphenoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 176503241
3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
CID 83944491
1-[(2,4-dichlorophenyl)methyl]-2-methyl-6-(methylperoxymethyl)indole
CID 22083979

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
The IUPAC name of 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole (CID 141347661) is 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole.
What is the SMILES notation for 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
The canonical SMILES for 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole is COc1cc2cc(C)n(Cc3ccc(Cl)cn3)c2cc1Cl.
What is the InChIKey of 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
The InChIKey is BQYKERIMLSPOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-5-11-6-16(21-2)14(18)7-15(11)20(10)9-13-4-3-12(17)8-19-13/h3-8H,9H2,1-2H3.
What are the key properties of 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole has a molecular weight of 321.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole is sourced from PubChem (CID 141347661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).