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

C10H13Cl2NO2 — CID 171893518

IUPAC4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ccnc(Cl)c1C(O)C(O)CCCl
InChIInChI=1S/C10H13Cl2NO2/c1-6-3-5-13-10(12)8(6)9(15)7(14)2-4-11/h3,5,7,9,14-15H,2,4H2,1H3
InChIKeyLRQVLVXCIPTTTI-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.07
Rot. Bonds4

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

4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol (PubChem CID 171893518) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
PubChem CID171893518
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ccnc(Cl)c1C(O)C(O)CCCl
InChIInChI=1S/C10H13Cl2NO2/c1-6-3-5-13-10(12)8(6)9(15)7(14)2-4-11/h3,5,7,9,14-15H,2,4H2,1H3
InChIKeyLRQVLVXCIPTTTI-UHFFFAOYSA-N
XLogP2.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872018
4-azido-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171879183
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)butane-1,2-diol
CID 171893750
1-(4-amino-2-chloro-3-pyridinyl)-4-azidobutane-1,2-diol
CID 171880559
4-chloro-1-(2-methylpyrimidin-5-yl)butane-1,2-diol
CID 171893246
1-(5-bromo-2-methylphenyl)-4-chlorobutane-1,2-diol
CID 171894867
1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893444
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine
CID 130647349
4-chloro-1-quinolin-4-ylbutane-1,2-diol
CID 171894027
4-chloro-1-(4-hydroxy-3,5-dimethylphenyl)butane-1,2-diol
CID 171893737
2,3-dichloro-4-methylpyridine
CID 18930251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol (CID 171893518) is 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol is Cc1ccnc(Cl)c1C(O)C(O)CCCl.
What is the InChIKey of 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is LRQVLVXCIPTTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-6-3-5-13-10(12)8(6)9(15)7(14)2-4-11/h3,5,7,9,14-15H,2,4H2,1H3.
What are the key properties of 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol?
4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 250.12 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171893518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).