3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C13H12BrClN2S — CID 114836834

IUPAC3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1
InChIInChI=1S/C13H12BrClN2S/c14-12-6-9(15)7-16-13(12)17(10-3-4-10)8-11-2-1-5-18-11/h1-2,5-7,10H,3-4,8H2
InChIKeyDZAPYJBAAWAFOX-UHFFFAOYSA-N
MW343.68 g/mol
LogP4.73
Rot. Bonds4

About 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 114836834) has the molecular formula C13H12BrClN2S and a molecular weight of 343.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID114836834
Molecular FormulaC13H12BrClN2S
Molecular Weight343.68 g/mol
Exact Mass341.96
IUPAC Name3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESClc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1
InChIInChI=1S/C13H12BrClN2S/c14-12-6-9(15)7-16-13(12)17(10-3-4-10)8-11-2-1-5-18-11/h1-2,5-7,10H,3-4,8H2
InChIKeyDZAPYJBAAWAFOX-UHFFFAOYSA-N
XLogP4.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.68
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 114836834) is 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is Clc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is DZAPYJBAAWAFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2S/c14-12-6-9(15)7-16-13(12)17(10-3-4-10)8-11-2-1-5-18-11/h1-2,5-7,10H,3-4,8H2.
What are the key properties of 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 343.68 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114836834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).