1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol

C10H15ClN2O2 — CID 171889689

IUPAC1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc(Cl)cn1
InChIInChI=1S/C10H15ClN2O2/c1-12-5-4-9(14)10(15)8-3-2-7(11)6-13-8/h2-3,6,9-10,12,14-15H,4-5H2,1H3
InChIKeyHTEBJWPMGIOIPL-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.74
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol

1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol (PubChem CID 171889689) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
PubChem CID171889689
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc(Cl)cn1
InChIInChI=1S/C10H15ClN2O2/c1-12-5-4-9(14)10(15)8-3-2-7(11)6-13-8/h2-3,6,9-10,12,14-15H,4-5H2,1H3
InChIKeyHTEBJWPMGIOIPL-UHFFFAOYSA-N
XLogP0.74
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol
CID 171889622
benzyl N-[4-(5-chloro-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887897
1-(5-bromopyrimidin-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891272
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
(2S)-2-(5-chloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131165748
1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889916
(1S)-1-(5-chloro-2-pyridinyl)-4,4-dimethylpentan-1-ol
CID 157416756
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
1-(4-chloro-3-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889797
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
1-(4-chloro-3,5-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890043

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol (CID 171889689) is 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
The InChIKey is HTEBJWPMGIOIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-12-5-4-9(14)10(15)8-3-2-7(11)6-13-8/h2-3,6,9-10,12,14-15H,4-5H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol has a molecular weight of 230.69 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171889689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).