(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride

C9H15Cl2NO3S — CID 91445255

IUPAC(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride
SMILESCC.CS(=O)(=O)Cl.OCc1cccnc1Cl
InChIInChI=1S/C6H6ClNO.C2H6.CH3ClO2S/c7-6-5(4-9)2-1-3-8-6;1-2;1-5(2,3)4/h1-3,9H,4H2;1-2H3;1H3
InChIKeyPYUDIKWMAVUIIJ-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.44
Rot. Bonds1

About (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride

(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride (PubChem CID 91445255) has the molecular formula C9H15Cl2NO3S and a molecular weight of 288.20 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride
PubChem CID91445255
Molecular FormulaC9H15Cl2NO3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride
SMILESCC.CS(=O)(=O)Cl.OCc1cccnc1Cl
InChIInChI=1S/C6H6ClNO.C2H6.CH3ClO2S/c7-6-5(4-9)2-1-3-8-6;1-2;1-5(2,3)4/h1-3,9H,4H2;1-2H3;1H3
InChIKeyPYUDIKWMAVUIIJ-UHFFFAOYSA-N
XLogP2.44
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
lithium;2-chloropyridine-3-sulfonic acid;hydride
CID 173107701
2-chloro-3-(nitrosomethyl)pyridine
CID 91182723
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
2-chloropyridin-3-ol;ethane
CID 144796414
2-chloro-3-(ethylsulfanylmethyl)pyridine
CID 62465007
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 130039616
methyl 2-[(2-chloro-3-pyridinyl)methylsulfanyl]acetate
CID 62464482

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride?
The IUPAC name of (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride (CID 91445255) is (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride.
What is the SMILES notation for (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride?
The canonical SMILES for (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride is CC.CS(=O)(=O)Cl.OCc1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride?
The InChIKey is PYUDIKWMAVUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO.C2H6.CH3ClO2S/c7-6-5(4-9)2-1-3-8-6;1-2;1-5(2,3)4/h1-3,9H,4H2;1-2H3;1H3.
What are the key properties of (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride?
(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride has a molecular weight of 288.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride is sourced from PubChem (CID 91445255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).