1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid

C15H10BrClN2O2 — CID 58306630

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2ccn(Cc3ccc(Br)cn3)c12
InChIInChI=1S/C15H10BrClN2O2/c16-10-1-2-12(18-7-10)8-19-4-3-9-5-11(17)6-13(14(9)19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyBFKVROOTOJCSBG-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.20
Rot. Bonds3

About 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid

1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid (PubChem CID 58306630) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid
PubChem CID58306630
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2ccn(Cc3ccc(Br)cn3)c12
InChIInChI=1S/C15H10BrClN2O2/c16-10-1-2-12(18-7-10)8-19-4-3-9-5-11(17)6-13(14(9)19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyBFKVROOTOJCSBG-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[[5-chloro-1-[(5-piperidin-1-yl-2-pyridinyl)methyl]indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 58306943
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767
4-[(5-bromo-2-pyridinyl)methylsulfonyl]-2-chlorobenzoic acid
CID 107090547
1-[(5-bromo-2-pyridinyl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 113455779
7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid
CID 151474983
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583198
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
3-[(5-bromo-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 113455683
1-[(5-bromo-2-pyridinyl)methyl]pyrrole-2-carbothioamide
CID 114653975

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid (CID 58306630) is 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid is O=C(O)c1cc(Cl)cc2ccn(Cc3ccc(Br)cn3)c12.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid?
The InChIKey is BFKVROOTOJCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-10-1-2-12(18-7-10)8-19-4-3-9-5-11(17)6-13(14(9)19)15(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid?
1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid has a molecular weight of 365.61 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-5-chloroindole-7-carboxylic acid is sourced from PubChem (CID 58306630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).