N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine

C11H10BrClN2S — CID 107354051

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1cc(Br)cs1
InChIInChI=1S/C11H10BrClN2S/c1-7(10-5-8(12)6-16-10)15-9-3-2-4-14-11(9)13/h2-7,15H,1H3
InChIKeyZUPGDRDMJCWHHV-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine (PubChem CID 107354051) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
PubChem CID107354051
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1cc(Br)cs1
InChIInChI=1S/C11H10BrClN2S/c1-7(10-5-8(12)6-16-10)15-9-3-2-4-14-11(9)13/h2-7,15H,1H3
InChIKeyZUPGDRDMJCWHHV-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.73
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-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
CID 107354041
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
CID 43689977

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine (CID 107354051) is N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine is CC(Nc1cccnc1Cl)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
The InChIKey is ZUPGDRDMJCWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c1-7(10-5-8(12)6-16-10)15-9-3-2-4-14-11(9)13/h2-7,15H,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine has a molecular weight of 317.64 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 107354051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).