1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol

C10H14ClNO2 — CID 103449011

IUPAC1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccncc1Cl
InChIInChI=1S/C10H14ClNO2/c1-10(2,14)9(13)5-7-3-4-12-6-8(7)11/h3-4,6,9,13-14H,5H2,1-2H3
InChIKeyKGBAQWJOMKZYGZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.41
Rot. Bonds3

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

1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol (PubChem CID 103449011) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
PubChem CID103449011
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccncc1Cl
InChIInChI=1S/C10H14ClNO2/c1-10(2,14)9(13)5-7-3-4-12-6-8(7)11/h3-4,6,9,13-14H,5H2,1-2H3
InChIKeyKGBAQWJOMKZYGZ-UHFFFAOYSA-N
XLogP1.41
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
3-chloro-4-(2-chloro-4,5,5-trimethylhexyl)pyridine
CID 112655993
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 115345875
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 112655719
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-ol
CID 113460152
1-(3-chloro-4-pyridinyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724281

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol (CID 103449011) is 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol is CC(C)(O)C(O)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol?
The InChIKey is KGBAQWJOMKZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-10(2,14)9(13)5-7-3-4-12-6-8(7)11/h3-4,6,9,13-14H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol?
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol has a molecular weight of 215.68 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 103449011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).