4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine

C17H17BrFN3 — CID 3359187

IUPAC4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2cncc(Br)c2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H17BrFN3/c18-12-7-11(9-21-10-12)17-14(3-1-2-6-20)15-8-13(19)4-5-16(15)22-17/h4-5,7-10,22H,1-3,6,20H2
InChIKeyZFDFFTNIDPNQOK-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.41
Rot. Bonds5

About 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine

4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine (PubChem CID 3359187) has the molecular formula C17H17BrFN3 and a molecular weight of 362.25 g/mol. Its IUPAC name is 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
PubChem CID3359187
Molecular FormulaC17H17BrFN3
Molecular Weight362.25 g/mol
Exact Mass361.06
IUPAC Name4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
SMILESNCCCCc1c(-c2cncc(Br)c2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H17BrFN3/c18-12-7-11(9-21-10-12)17-14(3-1-2-6-20)15-8-13(19)4-5-16(15)22-17/h4-5,7-10,22H,1-3,6,20H2
InChIKeyZFDFFTNIDPNQOK-UHFFFAOYSA-N
XLogP4.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine with MolForge

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Related Compounds

4-[2-(5-bromo-3-pyridinyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine
CID 4012786
4-[2-(3-bromothiophen-2-yl)-5-fluoro-1H-indol-3-yl]butan-1-amine
CID 4589874
4-[5-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4027468
4-[2-(5-bromo-3-pyridinyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4011886
4-[2-(4-bromophenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 4021265
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
4-[2-(2-chloro-4-fluorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 5013299
4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 3287232
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3992198

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine (CID 3359187) is 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine is NCCCCc1c(-c2cncc(Br)c2)[nH]c2ccc(F)cc12.
What is the InChIKey of 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine?
The InChIKey is ZFDFFTNIDPNQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3/c18-12-7-11(9-21-10-12)17-14(3-1-2-6-20)15-8-13(19)4-5-16(15)22-17/h4-5,7-10,22H,1-3,6,20H2.
What are the key properties of 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine?
4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine has a molecular weight of 362.25 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3359187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).