N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine

C13H11BrF2N2 — CID 114068495

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine
SMILESCC(Nc1ccc(F)nc1)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrF2N2/c1-8(11-4-2-9(15)6-12(11)14)18-10-3-5-13(16)17-7-10/h2-8,18H,1H3
InChIKeyAQIYISWNPWEQDQ-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine

N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine (PubChem CID 114068495) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine
PubChem CID114068495
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine
SMILESCC(Nc1ccc(F)nc1)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrF2N2/c1-8(11-4-2-9(15)6-12(11)14)18-10-3-5-13(16)17-7-10/h2-8,18H,1H3
InChIKeyAQIYISWNPWEQDQ-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 113354114
N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline
CID 71060075
3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
CID 103935912
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 103931399
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 103775505
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
tert-butyl N-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine (CID 114068495) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine is CC(Nc1ccc(F)nc1)c1ccc(F)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine?
The InChIKey is AQIYISWNPWEQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c1-8(11-4-2-9(15)6-12(11)14)18-10-3-5-13(16)17-7-10/h2-8,18H,1H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine has a molecular weight of 313.15 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 114068495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).