3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol

C12H13ClN2OS — CID 80526991

IUPAC3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
SMILESNCC(c1ccccn1)C(O)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c13-11-5-4-10(17-11)12(16)8(7-14)9-3-1-2-6-15-9/h1-6,8,12,16H,7,14H2
InChIKeyDDKDEBVGXAVNAW-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol

3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 80526991) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
PubChem CID80526991
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
SMILESNCC(c1ccccn1)C(O)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c13-11-5-4-10(17-11)12(16)8(7-14)9-3-1-2-6-15-9/h1-6,8,12,16H,7,14H2
InChIKeyDDKDEBVGXAVNAW-UHFFFAOYSA-N
XLogP2.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-pyridin-2-ylmethanol
CID 79021425
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
CID 65187605
3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol
CID 114031488
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CID 80527197
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527108
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine
CID 116833571
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CID 80527008

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol (CID 80526991) is 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol is NCC(c1ccccn1)C(O)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is DDKDEBVGXAVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-11-5-4-10(17-11)12(16)8(7-14)9-3-1-2-6-15-9/h1-6,8,12,16H,7,14H2.
What are the key properties of 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol?
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 268.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 80526991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).