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

C14H12BrN3 — CID 118663911

IUPAC6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole
SMILESCc1cc(C)nc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H12BrN3/c1-9-5-10(2)17-14(6-9)18-13-7-12(15)4-3-11(13)8-16-18/h3-8H,1-2H3
InChIKeySKKBMWDRPURQCC-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds1

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

6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole (PubChem CID 118663911) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole
PubChem CID118663911
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole
SMILESCc1cc(C)nc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H12BrN3/c1-9-5-10(2)17-14(6-9)18-13-7-12(15)4-3-11(13)8-16-18/h3-8H,1-2H3
InChIKeySKKBMWDRPURQCC-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
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
2-(4-Bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 684959
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole (CID 118663911) is 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole is Cc1cc(C)nc(-n2ncc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole?
The InChIKey is SKKBMWDRPURQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-5-10(2)17-14(6-9)18-13-7-12(15)4-3-11(13)8-16-18/h3-8H,1-2H3.
What are the key properties of 6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole?
6-bromo-1-(4,6-dimethyl-2-pyridinyl)indazole has a molecular weight of 302.18 g/mol, XLogP of 3.80, 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 is sourced from PubChem (CID 118663911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).