N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine

C10H9BrN2S — CID 43646901

IUPACN-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine
SMILESBrc1cc(CNc2cccnc2)cs1
InChIInChI=1S/C10H9BrN2S/c11-10-4-8(7-14-10)5-13-9-2-1-3-12-6-9/h1-4,6-7,13H,5H2
InChIKeyAOHWMSMDZXXXCA-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.52
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine

N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine (PubChem CID 43646901) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine
PubChem CID43646901
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine
SMILESBrc1cc(CNc2cccnc2)cs1
InChIInChI=1S/C10H9BrN2S/c11-10-4-8(7-14-10)5-13-9-2-1-3-12-6-9/h1-4,6-7,13H,5H2
InChIKeyAOHWMSMDZXXXCA-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-methoxyaniline
CID 43646990
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
3-[(5-bromothiophen-3-yl)methylamino]benzonitrile
CID 43646973
N-[(5-bromothiophen-3-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 43738885
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
N-[(5-bromothiophen-3-yl)methyl]-3-methylsulfonylaniline
CID 54861542
N-[(5-bromothiophen-3-yl)methyl]-3,4,5-trifluoroaniline
CID 62809151
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine (CID 43646901) is N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine is Brc1cc(CNc2cccnc2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine?
The InChIKey is AOHWMSMDZXXXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-10-4-8(7-14-10)5-13-9-2-1-3-12-6-9/h1-4,6-7,13H,5H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine?
N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine has a molecular weight of 269.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 43646901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).