N-chloro-1-(4-fluorophenyl)indazol-5-amine

C13H9ClFN3 — CID 164606394

IUPACN-chloro-1-(4-fluorophenyl)indazol-5-amine
SMILESFc1ccc(-n2ncc3cc(NCl)ccc32)cc1
InChIInChI=1S/C13H9ClFN3/c14-17-11-3-6-13-9(7-11)8-16-18(13)12-4-1-10(15)2-5-12/h1-8,17H
InChIKeyHBAJNFNQVIJTGW-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.73
Rot. Bonds2

About N-chloro-1-(4-fluorophenyl)indazol-5-amine

N-chloro-1-(4-fluorophenyl)indazol-5-amine (PubChem CID 164606394) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is N-chloro-1-(4-fluorophenyl)indazol-5-amine.

Molecular Properties

Compound NameN-chloro-1-(4-fluorophenyl)indazol-5-amine
PubChem CID164606394
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC NameN-chloro-1-(4-fluorophenyl)indazol-5-amine
SMILESFc1ccc(-n2ncc3cc(NCl)ccc32)cc1
InChIInChI=1S/C13H9ClFN3/c14-17-11-3-6-13-9(7-11)8-16-18(13)12-4-1-10(15)2-5-12/h1-8,17H
InChIKeyHBAJNFNQVIJTGW-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)indazol-5-amine
CID 59235727
[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
CID 67113503
3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
CID 91433209
[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
N-[(2S)-1-[[1-(4-fluorophenyl)indazol-5-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24850249
1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
5-bromo-1-(4-fluorophenyl)pyrazolo[4,5-b]pyridine
CID 91568292
5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
CID 168813334
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
CID 67005486
N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
CID 143677612

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(4-fluorophenyl)indazol-5-amine?
The IUPAC name of N-chloro-1-(4-fluorophenyl)indazol-5-amine (CID 164606394) is N-chloro-1-(4-fluorophenyl)indazol-5-amine.
What is the SMILES notation for N-chloro-1-(4-fluorophenyl)indazol-5-amine?
The canonical SMILES for N-chloro-1-(4-fluorophenyl)indazol-5-amine is Fc1ccc(-n2ncc3cc(NCl)ccc32)cc1.
What is the InChIKey of N-chloro-1-(4-fluorophenyl)indazol-5-amine?
The InChIKey is HBAJNFNQVIJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-17-11-3-6-13-9(7-11)8-16-18(13)12-4-1-10(15)2-5-12/h1-8,17H.
What are the key properties of N-chloro-1-(4-fluorophenyl)indazol-5-amine?
N-chloro-1-(4-fluorophenyl)indazol-5-amine has a molecular weight of 261.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(4-fluorophenyl)indazol-5-amine is sourced from PubChem (CID 164606394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).