1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole

C14H10BrClN2 — CID 116623535

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
SMILESClc1cccc2c1ccn2Cc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN2/c15-10-4-5-11(17-8-10)9-18-7-6-12-13(16)2-1-3-14(12)18/h1-8H,9H2
InChIKeyWCWJUFWGAGHWQH-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.50
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole

1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole (PubChem CID 116623535) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
PubChem CID116623535
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
SMILESClc1cccc2c1ccn2Cc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN2/c15-10-4-5-11(17-8-10)9-18-7-6-12-13(16)2-1-3-14(12)18/h1-8H,9H2
InChIKeyWCWJUFWGAGHWQH-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
CID 65467806
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 116623519
4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 116623853
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712
4-chloro-1-(furan-3-ylmethyl)indole
CID 116623869
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
4-chloro-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623800
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole (CID 116623535) is 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole is Clc1cccc2c1ccn2Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole?
The InChIKey is WCWJUFWGAGHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-10-4-5-11(17-8-10)9-18-7-6-12-13(16)2-1-3-14(12)18/h1-8H,9H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole?
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole has a molecular weight of 321.61 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole is sourced from PubChem (CID 116623535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).