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

C10H14ClNO3 — CID 171893593

IUPAC4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
SMILESCOc1ncccc1C(O)C(O)CCCl
InChIInChI=1S/C10H14ClNO3/c1-15-10-7(3-2-6-12-10)9(14)8(13)4-5-11/h2-3,6,8-9,13-14H,4-5H2,1H3
InChIKeySEOSUVWHRFEATN-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.11
Rot. Bonds5

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

4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol (PubChem CID 171893593) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
PubChem CID171893593
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
SMILESCOc1ncccc1C(O)C(O)CCCl
InChIInChI=1S/C10H14ClNO3/c1-15-10-7(3-2-6-12-10)9(14)8(13)4-5-11/h2-3,6,8-9,13-14H,4-5H2,1H3
InChIKeySEOSUVWHRFEATN-UHFFFAOYSA-N
XLogP1.11
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(2-methoxy-3-pyridinyl)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

methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
CID 171895384
4-chloro-1-(2,6-dimethoxy-3-pyridinyl)butane-1,2-diol
CID 171894271
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
2-(2,6-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105084678
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
3-butan-2-yl-2-methoxypyridine
CID 130368185
1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110251
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol (CID 171893593) is 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol is COc1ncccc1C(O)C(O)CCCl.
What is the InChIKey of 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol?
The InChIKey is SEOSUVWHRFEATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-15-10-7(3-2-6-12-10)9(14)8(13)4-5-11/h2-3,6,8-9,13-14H,4-5H2,1H3.
What are the key properties of 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol?
4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol has a molecular weight of 231.68 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171893593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).