1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol

C9H13ClN2O — CID 84669768

IUPAC1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)cncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6-3-12-4-7(10)9(6)8(13)5-11-2/h3-4,8,11,13H,5H2,1-2H3
InChIKeyVNPUHFSZUCYTAA-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.30
Rot. Bonds3

About 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol

1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol (PubChem CID 84669768) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
PubChem CID84669768
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)cncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6-3-12-4-7(10)9(6)8(13)5-11-2/h3-4,8,11,13H,5H2,1-2H3
InChIKeyVNPUHFSZUCYTAA-UHFFFAOYSA-N
XLogP1.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol 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

1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]-3,5,6-trimethylphenol
CID 117108193
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
CID 130667466
2-amino-1-(5-chloro-4-methyl-3-pyridinyl)ethanol
CID 83876708
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol (CID 84669768) is 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol is CNCC(O)c1c(C)cncc1Cl.
What is the InChIKey of 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol?
The InChIKey is VNPUHFSZUCYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6-3-12-4-7(10)9(6)8(13)5-11-2/h3-4,8,11,13H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol?
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol has a molecular weight of 200.67 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84669768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).