6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane

C16H18BrN3 — CID 145002747

IUPAC6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane
SMILESCC.Cc1cc(C)nc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H12BrN3.C2H6/c1-9-5-10(2)17-14(6-9)18-13-7-12(15)4-3-11(13)8-16-18;1-2/h3-8H,1-2H3;1-2H3
InChIKeyXWHMMCPPJMNTTA-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.83
Rot. Bonds1

About 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane

6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane (PubChem CID 145002747) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane.

Molecular Properties

Compound Name6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane
PubChem CID145002747
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane
SMILESCC.Cc1cc(C)nc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H12BrN3.C2H6/c1-9-5-10(2)17-14(6-9)18-13-7-12(15)4-3-11(13)8-16-18;1-2/h3-8H,1-2H3;1-2H3
InChIKeyXWHMMCPPJMNTTA-UHFFFAOYSA-N
XLogP4.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91050334
2-(4-Bromo-phenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 10156654
2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
CID 54673094
4-(6-Bromoindol-1-yl)pyrimidin-2-amine
CID 71560541
3-Bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 1489139
3-(4-bromophenyl)-6-(4-methyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1336337
4-(4-Bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 17308069
3-(3-Bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 675402
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
CID 9999740
Indol-1-yl-propyl-pyrimidin-4-yl-amine
CID 10729495
1-[4-(8-Bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine
CID 57377875

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane?
The IUPAC name of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane (CID 145002747) is 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane.
What is the SMILES notation for 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane?
The canonical SMILES for 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane is CC.Cc1cc(C)nc(-n2ncc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane?
The InChIKey is XWHMMCPPJMNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3.C2H6/c1-9-5-10(2)17-14(6-9)18-13-7-12(15)4-3-11(13)8-16-18;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane?
6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane has a molecular weight of 332.25 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole;ethane is sourced from PubChem (CID 145002747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).