[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol

C12H12ClFN2OS — CID 105382971

IUPAC[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
SMILESCN(Cc1ccc(Cl)s1)c1nccc(CO)c1F
InChIInChI=1S/C12H12ClFN2OS/c1-16(6-9-2-3-10(13)18-9)12-11(14)8(7-17)4-5-15-12/h2-5,17H,6-7H2,1H3
InChIKeySLINSKXCUAWNHC-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.06
Rot. Bonds4

About [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol

[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol (PubChem CID 105382971) has the molecular formula C12H12ClFN2OS and a molecular weight of 286.76 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
PubChem CID105382971
Molecular FormulaC12H12ClFN2OS
Molecular Weight286.76 g/mol
Exact Mass286.03
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
SMILESCN(Cc1ccc(Cl)s1)c1nccc(CO)c1F
InChIInChI=1S/C12H12ClFN2OS/c1-16(6-9-2-3-10(13)18-9)12-11(14)8(7-17)4-5-15-12/h2-5,17H,6-7H2,1H3
InChIKeySLINSKXCUAWNHC-UHFFFAOYSA-N
XLogP3.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol (CID 105382971) is [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol is CN(Cc1ccc(Cl)s1)c1nccc(CO)c1F.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol?
The InChIKey is SLINSKXCUAWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2OS/c1-16(6-9-2-3-10(13)18-9)12-11(14)8(7-17)4-5-15-12/h2-5,17H,6-7H2,1H3.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol?
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol has a molecular weight of 286.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 105382971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).