6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole

C14H11BrClN3 — CID 130231677

IUPAC6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole
SMILESCCc1cccc(-n2ncc3c(Cl)cc(Br)cc32)n1
InChIInChI=1S/C14H11BrClN3/c1-2-10-4-3-5-14(18-10)19-13-7-9(15)6-12(16)11(13)8-17-19/h3-8H,2H2,1H3
InChIKeyYGSGIGPXTCOLFA-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.40
Rot. Bonds2

About 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole

6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole (PubChem CID 130231677) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole
PubChem CID130231677
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole
SMILESCCc1cccc(-n2ncc3c(Cl)cc(Br)cc32)n1
InChIInChI=1S/C14H11BrClN3/c1-2-10-4-3-5-14(18-10)19-13-7-9(15)6-12(16)11(13)8-17-19/h3-8H,2H2,1H3
InChIKeyYGSGIGPXTCOLFA-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43542730
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CID 89914418
CID 89914418
CID 90022008
CID 90022008
CID 118664077
CID 118664077
CID 118664262
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CID 118664447
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CID 118664475
CID 118664475
CID 130246967
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CID 130247330
CID 130247330

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole (CID 130231677) is 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole is CCc1cccc(-n2ncc3c(Cl)cc(Br)cc32)n1.
What is the InChIKey of 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole?
The InChIKey is YGSGIGPXTCOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-2-10-4-3-5-14(18-10)19-13-7-9(15)6-12(16)11(13)8-17-19/h3-8H,2H2,1H3.
What are the key properties of 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole?
6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole has a molecular weight of 336.62 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-1-(6-ethyl-2-pyridinyl)indazole is sourced from PubChem (CID 130231677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).