(3-chloro-4-pyridinyl)methanol

C6H6ClNO — CID 12742466

IUPAC(3-chloro-4-pyridinyl)methanol
SMILESOCc1ccncc1Cl
InChIInChI=1S/C6H6ClNO/c7-6-3-8-2-1-5(6)4-9/h1-3,9H,4H2
InChIKeyZBVHUTXSYWJSFW-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.23
Rot. Bonds1

About (3-chloro-4-pyridinyl)methanol

(3-chloro-4-pyridinyl)methanol (PubChem CID 12742466) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)methanol
PubChem CID12742466
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name(3-chloro-4-pyridinyl)methanol
SMILESOCc1ccncc1Cl
InChIInChI=1S/C6H6ClNO/c7-6-3-8-2-1-5(6)4-9/h1-3,9H,4H2
InChIKeyZBVHUTXSYWJSFW-UHFFFAOYSA-N
XLogP1.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)methanol (CID 12742466) is (3-chloro-4-pyridinyl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)methanol is OCc1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)methanol?
The InChIKey is ZBVHUTXSYWJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-6-3-8-2-1-5(6)4-9/h1-3,9H,4H2.
What are the key properties of (3-chloro-4-pyridinyl)methanol?
(3-chloro-4-pyridinyl)methanol has a molecular weight of 143.57 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)methanol is sourced from PubChem (CID 12742466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).