(2-chloro-4-pyridinyl)methanol

C6H6ClNO — CID 7062237

IUPAC(2-chloro-4-pyridinyl)methanol
SMILESOCc1ccnc(Cl)c1
InChIInChI=1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKeyUDDVPFLXGOBESH-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.23
Rot. Bonds1

About (2-chloro-4-pyridinyl)methanol

(2-chloro-4-pyridinyl)methanol (PubChem CID 7062237) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)methanol
PubChem CID7062237
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name(2-chloro-4-pyridinyl)methanol
SMILESOCc1ccnc(Cl)c1
InChIInChI=1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKeyUDDVPFLXGOBESH-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

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
CID 62472318
2-chloro-4-(chloromethyl)pyridine
CID 11126573
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine
CID 174541766
[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol
CID 87929835
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-ethylpyridine;piperazine
CID 87668747
2-chloro-4-pentadecylpyridine
CID 174517606

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)methanol?
The IUPAC name of (2-chloro-4-pyridinyl)methanol (CID 7062237) is (2-chloro-4-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-4-pyridinyl)methanol?
The canonical SMILES for (2-chloro-4-pyridinyl)methanol is OCc1ccnc(Cl)c1.
What is the InChIKey of (2-chloro-4-pyridinyl)methanol?
The InChIKey is UDDVPFLXGOBESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2.
What are the key properties of (2-chloro-4-pyridinyl)methanol?
(2-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 (2-chloro-4-pyridinyl)methanol is sourced from PubChem (CID 7062237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).