[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol

C13H15BrN2OS — CID 62000735

IUPAC[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
SMILESCCN(Cc1cccs1)c1ncc(Br)cc1CO
InChIInChI=1S/C13H15BrN2OS/c1-2-16(8-12-4-3-5-18-12)13-10(9-17)6-11(14)7-15-13/h3-7,17H,2,8-9H2,1H3
InChIKeyWCCNLBOBMPHVRE-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.42
Rot. Bonds5

About [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol

[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol (PubChem CID 62000735) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
PubChem CID62000735
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
SMILESCCN(Cc1cccs1)c1ncc(Br)cc1CO
InChIInChI=1S/C13H15BrN2OS/c1-2-16(8-12-4-3-5-18-12)13-10(9-17)6-11(14)7-15-13/h3-7,17H,2,8-9H2,1H3
InChIKeyWCCNLBOBMPHVRE-UHFFFAOYSA-N
XLogP3.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol with MolForge

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Related Compounds

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288093
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467817
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333
2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320885
4-N-ethyl-5-fluoro-2-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80799062

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol (CID 62000735) is [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol is CCN(Cc1cccs1)c1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol?
The InChIKey is WCCNLBOBMPHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-2-16(8-12-4-3-5-18-12)13-10(9-17)6-11(14)7-15-13/h3-7,17H,2,8-9H2,1H3.
What are the key properties of [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol?
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol has a molecular weight of 327.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 62000735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).