[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol

C11H12ClN3O — CID 61404987

IUPAC[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
SMILESCCc1nccn1-c1ncc(CO)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-10-13-3-4-15(10)11-9(12)5-8(7-16)6-14-11/h3-6,16H,2,7H2,1H3
InChIKeyPSEXOLHRBMJIAT-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.98
Rot. Bonds3

About [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol

[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol (PubChem CID 61404987) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
PubChem CID61404987
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
SMILESCCc1nccn1-c1ncc(CO)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-10-13-3-4-15(10)11-9(12)5-8(7-16)6-14-11/h3-6,16H,2,7H2,1H3
InChIKeyPSEXOLHRBMJIAT-UHFFFAOYSA-N
XLogP1.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-methyl-1H-imidazol-1-yl)methyl]pyridine
CID 3835786
Imidazo[1,2-a]pyridin-6-ylmethanol
CID 7060530
[2-(Pyrrolidin-1-yl)pyridin-3-yl]methanol
CID 2794726
Imidazo[1,2-a]pyridine-7-methanol
CID 11051824
{Imidazo[1,2-a]pyridin-7-yl}methanol hydrochloride
CID 19883500
(Imidazo(1,2-a)pyridin-6-yl)methanol hydrochloride
CID 71748611
(2-chloropyridin-4-yl)(1-propyl-1H-imidazol-2-yl)methanol
CID 80460994
{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}methanol
CID 2763496
(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol
CID 97124930
(1R)-1-(3-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 97327102
[6-[(1-Cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol
CID 138023124
(6-(Pyrrolidin-1-yl)pyridin-3-yl)methanol
CID 2794774

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol (CID 61404987) is [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol is CCc1nccn1-c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is PSEXOLHRBMJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-10-13-3-4-15(10)11-9(12)5-8(7-16)6-14-11/h3-6,16H,2,7H2,1H3.
What are the key properties of [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 237.69 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 61404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).