(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C12H12ClNO2 — CID 106502209

IUPAC(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CC=CCC1
InChIInChI=1S/C12H12ClNO2/c13-11-5-4-9(15)8-10(11)12(16)14-6-2-1-3-7-14/h1-2,4-5,8,15H,3,6-7H2
InChIKeyHQXDVRWVFPEYNI-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.45
Rot. Bonds1

About (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106502209) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106502209
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CC=CCC1
InChIInChI=1S/C12H12ClNO2/c13-11-5-4-9(15)8-10(11)12(16)14-6-2-1-3-7-14/h1-2,4-5,8,15H,3,6-7H2
InChIKeyHQXDVRWVFPEYNI-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
(2-chloro-5-hydroxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 106502690
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418
[4-(2-bromoethyl)piperazin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106503094
2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 106500416
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 106500274
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106502209) is (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc(O)ccc1Cl)N1CC=CCC1.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is HQXDVRWVFPEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-11-5-4-9(15)8-10(11)12(16)14-6-2-1-3-7-14/h1-2,4-5,8,15H,3,6-7H2.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 237.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106502209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).