N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine

C11H10BrFN2S — CID 106038698

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
SMILESFc1cc(NCCc2ccc(Br)s2)ccn1
InChIInChI=1S/C11H10BrFN2S/c12-10-2-1-9(16-10)4-6-14-8-3-5-15-11(13)7-8/h1-3,5,7H,4,6H2,(H,14,15)
InChIKeyQKYNXIQWVVPDHV-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine (PubChem CID 106038698) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
PubChem CID106038698
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
SMILESFc1cc(NCCc2ccc(Br)s2)ccn1
InChIInChI=1S/C11H10BrFN2S/c12-10-2-1-9(16-10)4-6-14-8-3-5-15-11(13)7-8/h1-3,5,7H,4,6H2,(H,14,15)
InChIKeyQKYNXIQWVVPDHV-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
CID 106044050
4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 114139101
2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 114139092
3-[2-(5-bromothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 114139098
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 106044018
2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 106037302
2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzoic acid
CID 106039782
4-bromo-2-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluorobenzene-1,2-diamine
CID 106037471
1-[2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]phenyl]ethanone
CID 106037639
5-[2-(5-bromothiophen-2-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 106037873
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106048968

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine (CID 106038698) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine is Fc1cc(NCCc2ccc(Br)s2)ccn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine?
The InChIKey is QKYNXIQWVVPDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c12-10-2-1-9(16-10)4-6-14-8-3-5-15-11(13)7-8/h1-3,5,7H,4,6H2,(H,14,15).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine has a molecular weight of 301.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine is sourced from PubChem (CID 106038698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).