4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine

C13H10ClFN4 — CID 103553587

IUPAC4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
SMILESNc1cc(N)c(-n2ncc3ccccc32)c(F)c1Cl
InChIInChI=1S/C13H10ClFN4/c14-11-8(16)5-9(17)13(12(11)15)19-10-4-2-1-3-7(10)6-18-19/h1-6H,16-17H2
InChIKeyICGTTYJTUYBEBK-UHFFFAOYSA-N
MW276.70 g/mol
LogP2.98
Rot. Bonds1

About 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine

4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine (PubChem CID 103553587) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
PubChem CID103553587
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
SMILESNc1cc(N)c(-n2ncc3ccccc32)c(F)c1Cl
InChIInChI=1S/C13H10ClFN4/c14-11-8(16)5-9(17)13(12(11)15)19-10-4-2-1-3-7(10)6-18-19/h1-6H,16-17H2
InChIKeyICGTTYJTUYBEBK-UHFFFAOYSA-N
XLogP2.98
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-methylphenyl)indazole
CID 117063200
2,4-difluoro-6-indazol-1-ylaniline
CID 115507215
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
2-indazol-1-yl-5-methylpyridin-4-amine
CID 83265472
3,5-difluoro-4-indazol-1-ylbenzoic acid
CID 63075994
5-fluoro-4-indazol-1-yl-2-methoxyaniline
CID 107259731
3-chloro-2-indazol-1-ylbenzaldehyde
CID 114067193
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
CID 63730381
1-[2-(3-chloro-2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]indazole
CID 122589989
1-[3-chloro-5-(chloromethyl)-2-pyridinyl]indazole
CID 55040696
1-naphthalen-2-ylindazole
CID 134338014
3-bromo-4-indazol-1-ylaniline
CID 62140535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine (CID 103553587) is 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine is Nc1cc(N)c(-n2ncc3ccccc32)c(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine?
The InChIKey is ICGTTYJTUYBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c14-11-8(16)5-9(17)13(12(11)15)19-10-4-2-1-3-7(10)6-18-19/h1-6H,16-17H2.
What are the key properties of 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine?
4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine has a molecular weight of 276.70 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine is sourced from PubChem (CID 103553587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).