6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine

C10H8BrClN2S — CID 115925207

IUPAC6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
SMILESClc1ccc(CNc2ccc(Br)nc2)s1
InChIInChI=1S/C10H8BrClN2S/c11-9-3-1-7(5-14-9)13-6-8-2-4-10(12)15-8/h1-5,13H,6H2
InChIKeyJQPQKUWKCKYWAX-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.17
Rot. Bonds3

About 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine

6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine (PubChem CID 115925207) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
PubChem CID115925207
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
SMILESClc1ccc(CNc2ccc(Br)nc2)s1
InChIInChI=1S/C10H8BrClN2S/c11-9-3-1-7(5-14-9)13-6-8-2-4-10(12)15-8/h1-5,13H,6H2
InChIKeyJQPQKUWKCKYWAX-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.17
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-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132
tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine
CID 62636140
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80913534
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 28878881
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104506895
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
5-[[(6-bromo-3-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115925174
4-butan-2-yl-N-[(5-chlorothiophen-2-yl)methyl]aniline
CID 43230074
4-[(5-chlorothiophen-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788463
5-[[(6-chloro-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 115975883

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine (CID 115925207) is 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine is Clc1ccc(CNc2ccc(Br)nc2)s1.
What is the InChIKey of 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine?
The InChIKey is JQPQKUWKCKYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-9-3-1-7(5-14-9)13-6-8-2-4-10(12)15-8/h1-5,13H,6H2.
What are the key properties of 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine?
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine has a molecular weight of 303.61 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 115925207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).