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

C15H13BrN2 — CID 116621884

IUPAC6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
SMILESCc1cccnc1Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C15H13BrN2/c1-11-3-2-7-17-14(11)10-18-8-6-12-4-5-13(16)9-15(12)18/h2-9H,10H2,1H3
InChIKeyNFOHJOAEPZTNMZ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.16
Rot. Bonds2

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

6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole (PubChem CID 116621884) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole.

Molecular Properties

Compound Name6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
PubChem CID116621884
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
SMILESCc1cccnc1Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C15H13BrN2/c1-11-3-2-7-17-14(11)10-18-8-6-12-4-5-13(16)9-15(12)18/h2-9H,10H2,1H3
InChIKeyNFOHJOAEPZTNMZ-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 65346157
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
6-bromo-1-(furan-2-ylmethyl)indole
CID 116622096
2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
CID 103182727
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114485977
6-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116621978
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 116621897
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole?
The IUPAC name of 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole (CID 116621884) is 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole.
What is the SMILES notation for 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole?
The canonical SMILES for 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole is Cc1cccnc1Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole?
The InChIKey is NFOHJOAEPZTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-11-3-2-7-17-14(11)10-18-8-6-12-4-5-13(16)9-15(12)18/h2-9H,10H2,1H3.
What are the key properties of 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole?
6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole has a molecular weight of 301.19 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole is sourced from PubChem (CID 116621884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).