1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine

C18H19BrN2 — CID 10497535

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3
InChIKeyQFPQNRRUWQDVHQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP5.53
Rot. Bonds2

About 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine

1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine (PubChem CID 10497535) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine
PubChem CID10497535
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3
InChIKeyQFPQNRRUWQDVHQ-UHFFFAOYSA-N
XLogP5.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.27
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 623416
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4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine
CID 717644
2-(4-Bromophenyl)-3-methylimidazo[1,2-a]pyridine
CID 852495
[9-(2-Bromo-4-isopropyl-phenyl)-2,8-dimethyl-9H-purin-6-yl]-butyl-ethyl-amine
CID 10694584
6-(4-(dimethylamino)benzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444216
2-Bromo-5-methylindolo[2,3-b]quinoline
CID 10244922
2-(tert-butyl)-1-(3-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine
CID 1488065
[4-(6-Bromo-imidazo[1,2-a]pyridin-2-yl)-phenyl]-dimethyl-amine
CID 9839907
1-(2-Bromo-4-isopropylphenyl)-3-cyano-6-methyl-4-phenyl-7-azaindole
CID 10502734
1-(2-Bromo-4-isopropyl-phenyl)-4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 10644018

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine (CID 10497535) is 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine is Cc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
The InChIKey is QFPQNRRUWQDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine has a molecular weight of 343.27 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).