(2-chloro-3-pyridinyl)methanediol

C6H6ClNO2 — CID 163733643

IUPAC(2-chloro-3-pyridinyl)methanediol
SMILESOC(O)c1cccnc1Cl
InChIInChI=1S/C6H6ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,6,9-10H
InChIKeyLBTGTDWDJKKUGU-UHFFFAOYSA-N
MW159.57 g/mol
LogP0.72
Rot. Bonds1

About (2-chloro-3-pyridinyl)methanediol

(2-chloro-3-pyridinyl)methanediol (PubChem CID 163733643) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)methanediol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)methanediol
PubChem CID163733643
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name(2-chloro-3-pyridinyl)methanediol
SMILESOC(O)c1cccnc1Cl
InChIInChI=1S/C6H6ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,6,9-10H
InChIKeyLBTGTDWDJKKUGU-UHFFFAOYSA-N
XLogP0.72
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chloro-3-pyridinyl)methanol
CID 14691920
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
1-(2-chloro-3-pyridinyl)propane-1,3-diol
CID 59846570
3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
1-(2-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819352
(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
CID 54170926
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130649369
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
2-chloro-3-(diethoxymethyl)pyridine
CID 139621057
N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide
CID 102126964

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)methanediol?
The IUPAC name of (2-chloro-3-pyridinyl)methanediol (CID 163733643) is (2-chloro-3-pyridinyl)methanediol.
What is the SMILES notation for (2-chloro-3-pyridinyl)methanediol?
The canonical SMILES for (2-chloro-3-pyridinyl)methanediol is OC(O)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)methanediol?
The InChIKey is LBTGTDWDJKKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,6,9-10H.
What are the key properties of (2-chloro-3-pyridinyl)methanediol?
(2-chloro-3-pyridinyl)methanediol has a molecular weight of 159.57 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)methanediol is sourced from PubChem (CID 163733643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).