N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine

C10H8BrClN2S — CID 79035166

IUPACN-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
SMILESClc1ccc(NCc2sccc2Br)nc1
InChIInChI=1S/C10H8BrClN2S/c11-8-3-4-15-9(8)6-14-10-2-1-7(12)5-13-10/h1-5H,6H2,(H,13,14)
InChIKeyUGFHIVZJHHMWDU-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.17
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine

N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine (PubChem CID 79035166) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
PubChem CID79035166
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
SMILESClc1ccc(NCc2sccc2Br)nc1
InChIInChI=1S/C10H8BrClN2S/c11-8-3-4-15-9(8)6-14-10-2-1-7(12)5-13-10/h1-5H,6H2,(H,13,14)
InChIKeyUGFHIVZJHHMWDU-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

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Related Compounds

5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
CID 78999146
2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652753
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114476013
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
2-N-[(3-bromothiophen-2-yl)methyl]-4-chlorobenzene-1,2-diamine
CID 115469151
2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
CID 83076266
4-[(3-bromothiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976446
4-N-[(3-bromothiophen-2-yl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80852044
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
4-[(3-bromothiophen-2-yl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136976452

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine (CID 79035166) is N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine is Clc1ccc(NCc2sccc2Br)nc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine?
The InChIKey is UGFHIVZJHHMWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-8-3-4-15-9(8)6-14-10-2-1-7(12)5-13-10/h1-5H,6H2,(H,13,14).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-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 N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 79035166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).