1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole

C16H14Cl2N2O — CID 141347653

IUPAC1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
SMILESCOc1ccc2c(c1)cc(C)n2Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-10-5-11-6-13(21-2)3-4-16(11)20(10)9-15-14(18)7-12(17)8-19-15/h3-8H,9H2,1-2H3
InChIKeyHNPFHARWNGSBBT-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.71
Rot. Bonds3

About 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole

1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole (PubChem CID 141347653) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
PubChem CID141347653
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
SMILESCOc1ccc2c(c1)cc(C)n2Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-10-5-11-6-13(21-2)3-4-16(11)20(10)9-15-14(18)7-12(17)8-19-15/h3-8H,9H2,1-2H3
InChIKeyHNPFHARWNGSBBT-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

4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347661
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485014
3-[4-[[4-[(5-methoxy-2-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159997
1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indole
CID 141206608
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine
CID 141347657
1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
CID 174670552
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole (CID 141347653) is 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole is COc1ccc2c(c1)cc(C)n2Cc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
The InChIKey is HNPFHARWNGSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-5-11-6-13(21-2)3-4-16(11)20(10)9-15-14(18)7-12(17)8-19-15/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole?
1-[(3,5-dichloro-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 1-[(3,5-dichloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole is sourced from PubChem (CID 141347653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).