[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol

C12H13BrN2OS — CID 54984367

IUPAC[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol
SMILESCN(Cc1cc(Br)cs1)c1cc(CO)ccn1
InChIInChI=1S/C12H13BrN2OS/c1-15(6-11-5-10(13)8-17-11)12-4-9(7-16)2-3-14-12/h2-5,8,16H,6-7H2,1H3
InChIKeyQVJKTTOXNTZSSD-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.03
Rot. Bonds4

About [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol

[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol (PubChem CID 54984367) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol
PubChem CID54984367
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol
SMILESCN(Cc1cc(Br)cs1)c1cc(CO)ccn1
InChIInChI=1S/C12H13BrN2OS/c1-15(6-11-5-10(13)8-17-11)12-4-9(7-16)2-3-14-12/h2-5,8,16H,6-7H2,1H3
InChIKeyQVJKTTOXNTZSSD-UHFFFAOYSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol?
The IUPAC name of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol (CID 54984367) is [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol is CN(Cc1cc(Br)cs1)c1cc(CO)ccn1.
What is the InChIKey of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol?
The InChIKey is QVJKTTOXNTZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-15(6-11-5-10(13)8-17-11)12-4-9(7-16)2-3-14-12/h2-5,8,16H,6-7H2,1H3.
What are the key properties of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol?
[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol has a molecular weight of 313.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 54984367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).