6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole

C14H9BrN4 — CID 140798390

IUPAC6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole
SMILES[C-]#[N+]Cc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H9BrN4/c1-16-9-12-3-2-4-14(18-12)19-13-7-11(15)6-5-10(13)8-17-19/h2-8H,9H2
InChIKeyIBZLAXIDALUBII-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.60
Rot. Bonds2

About 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole

6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole (PubChem CID 140798390) has the molecular formula C14H9BrN4 and a molecular weight of 313.16 g/mol. Its IUPAC name is 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole
PubChem CID140798390
Molecular FormulaC14H9BrN4
Molecular Weight313.16 g/mol
Exact Mass312.00
IUPAC Name6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole
SMILES[C-]#[N+]Cc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H9BrN4/c1-16-9-12-3-2-4-14(18-12)19-13-7-11(15)6-5-10(13)8-17-19/h2-8H,9H2
InChIKeyIBZLAXIDALUBII-UHFFFAOYSA-N
XLogP3.60
TPSA35.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91050334
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-[[4-(6-Bromo-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823921
(E)-3-(4-bromophenyl)-2-(triazolo[4,5-b]pyridin-1-yl)prop-2-enenitrile
CID 145951918
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
CID 9999740
5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine
CID 77106290
5-bromo-N4-(cyclopropylmethyl)-2-(1H-indazol-1-yl)pyrimidine-4,6-diamine
CID 77106291
5-bromo-2-indazol-1-yl-4-N-prop-2-ynylpyrimidine-4,6-diamine
CID 77106292
5-bromo-6-N-ethyl-2-indazol-1-yl-4-N-prop-2-ynylpyrimidine-4,6-diamine
CID 77108096
1-[2-(4-Bromophenyl)pyrazolo[1,5-A]pyrazin-4-YL]-4-(2-fluorophenyl)piperazine
CID 15988383
2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 164626528

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole (CID 140798390) is 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole is [C-]#[N+]Cc1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole?
The InChIKey is IBZLAXIDALUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4/c1-16-9-12-3-2-4-14(18-12)19-13-7-11(15)6-5-10(13)8-17-19/h2-8H,9H2.
What are the key properties of 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole?
6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole has a molecular weight of 313.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[6-(isocyanomethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 140798390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).