N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine

C14H11ClFN3 — CID 81145361

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
SMILESFc1ccc(CNc2cccc3cn[nH]c23)cc1Cl
InChIInChI=1S/C14H11ClFN3/c15-11-6-9(4-5-12(11)16)7-17-13-3-1-2-10-8-18-19-14(10)13/h1-6,8,17H,7H2,(H,18,19)
InChIKeyOVERMKRFBNOJGP-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.97
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine

N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine (PubChem CID 81145361) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
PubChem CID81145361
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
SMILESFc1ccc(CNc2cccc3cn[nH]c23)cc1Cl
InChIInChI=1S/C14H11ClFN3/c15-11-6-9(4-5-12(11)16)7-17-13-3-1-2-10-8-18-19-14(10)13/h1-6,8,17H,7H2,(H,18,19)
InChIKeyOVERMKRFBNOJGP-UHFFFAOYSA-N
XLogP3.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1H-indazol-7-amine
CID 65021798
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
N-benzyl-1H-indazol-7-amine
CID 43730923
3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide
CID 4165476
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2-(1-chloroethyl)-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 103041354
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine (CID 81145361) is N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine is Fc1ccc(CNc2cccc3cn[nH]c23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine?
The InChIKey is OVERMKRFBNOJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-11-6-9(4-5-12(11)16)7-17-13-3-1-2-10-8-18-19-14(10)13/h1-6,8,17H,7H2,(H,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine has a molecular weight of 275.71 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 81145361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).