(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol

C13H16ClNO — CID 106657827

IUPAC(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
SMILESOC(C1=CCCCCC1)c1ccc(Cl)cn1
InChIInChI=1S/C13H16ClNO/c14-11-7-8-12(15-9-11)13(16)10-5-3-1-2-4-6-10/h5,7-9,13,16H,1-4,6H2
InChIKeyXXCLUENWRNMJRP-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.66
Rot. Bonds2

About (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol

(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol (PubChem CID 106657827) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
PubChem CID106657827
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
SMILESOC(C1=CCCCCC1)c1ccc(Cl)cn1
InChIInChI=1S/C13H16ClNO/c14-11-7-8-12(15-9-11)13(16)10-5-3-1-2-4-6-10/h5,7-9,13,16H,1-4,6H2
InChIKeyXXCLUENWRNMJRP-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.66
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

[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
CID 106657819
cyclohexen-1-yl(quinoxalin-2-yl)methanol
CID 107357780
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 62079642
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
CID 106651291
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol?
The IUPAC name of (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol (CID 106657827) is (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol?
The canonical SMILES for (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol is OC(C1=CCCCCC1)c1ccc(Cl)cn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol?
The InChIKey is XXCLUENWRNMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-7-8-12(15-9-11)13(16)10-5-3-1-2-4-6-10/h5,7-9,13,16H,1-4,6H2.
What are the key properties of (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol?
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol has a molecular weight of 237.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol is sourced from PubChem (CID 106657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).