1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol

C11H17ClN2O2 — CID 171889916

IUPAC1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cnc(Cl)c(C)c1
InChIInChI=1S/C11H17ClN2O2/c1-7-5-8(6-14-11(7)12)10(16)9(15)3-4-13-2/h5-6,9-10,13,15-16H,3-4H2,1-2H3
InChIKeyHAYRUBFNZOFHPQ-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.05
Rot. Bonds5

About 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol

1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol (PubChem CID 171889916) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
PubChem CID171889916
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cnc(Cl)c(C)c1
InChIInChI=1S/C11H17ClN2O2/c1-7-5-8(6-14-11(7)12)10(16)9(15)3-4-13-2/h5-6,9-10,13,15-16H,3-4H2,1-2H3
InChIKeyHAYRUBFNZOFHPQ-UHFFFAOYSA-N
XLogP1.05
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
1-(4-amino-3-chloro-5-methylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890244
1-(4-fluoro-3,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890049
(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378
1-(3,4-diamino-5-methylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890195
1-(4-chloro-3,5-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890043
6-[1,2-dihydroxy-4-(methylamino)butyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 171890424
4-(methylamino)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butane-1,2-diol
CID 171891016
4-bromo-1-(5,6-dichloro-3-pyridinyl)butane-1,2-diol
CID 171891754
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889689
1-(3-chloro-4-hydroxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171889814

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol (CID 171889916) is 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1cnc(Cl)c(C)c1.
What is the InChIKey of 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
The InChIKey is HAYRUBFNZOFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-7-5-8(6-14-11(7)12)10(16)9(15)3-4-13-2/h5-6,9-10,13,15-16H,3-4H2,1-2H3.
What are the key properties of 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol?
1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol has a molecular weight of 244.72 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171889916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).