N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine

C13H8ClF3N4 — CID 40725563

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine
SMILESFC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)c(Cl)c1
InChIInChI=1S/C13H8ClF3N4/c14-10-4-8(13(15,16)17)6-18-12(10)20-9-1-2-11-7(3-9)5-19-21-11/h1-6H,(H,18,20)(H,19,21)
InChIKeyXDUMAHSRZQHPFB-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.37
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine (PubChem CID 40725563) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine
PubChem CID40725563
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine
SMILESFC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)c(Cl)c1
InChIInChI=1S/C13H8ClF3N4/c14-10-4-8(13(15,16)17)6-18-12(10)20-9-1-2-11-7(3-9)5-19-21-11/h1-6H,(H,18,20)(H,19,21)
InChIKeyXDUMAHSRZQHPFB-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 31
CID 6539373
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415
1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093263
Pyrazolo[1,5-b]pyridazine deriv. 83
CID 6539425
N-(6-chloropyridin-3-yl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 9883254
6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
CID 10426186
4-N-[1-[(3-chlorophenyl)methyl]indazol-5-yl]-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747311
4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine
CID 23366754
5-(Dimethyl-hydrazonomethyl)-N-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-pyrimidine-4,6-diamine
CID 24897043
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-(methylhydrazinylidene)methyl]pyrimidine-4,6-diamine
CID 24897045
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-(2,2,2-trifluoroethylhydrazinylidene)methyl]pyrimidine-4,6-diamine
CID 24897494
5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1H-indazol-3-yl)pyrimidin-2-amine
CID 44431457

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine (CID 40725563) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine is FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine?
The InChIKey is XDUMAHSRZQHPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c14-10-4-8(13(15,16)17)6-18-12(10)20-9-1-2-11-7(3-9)5-19-21-11/h1-6H,(H,18,20)(H,19,21).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine has a molecular weight of 312.68 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indazol-5-amine is sourced from PubChem (CID 40725563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).