(2-chloro-7-methylquinolin-3-yl)methanol

C11H10ClNO — CID 828414

IUPAC(2-chloro-7-methylquinolin-3-yl)methanol
SMILESCc1ccc2cc(CO)c(Cl)nc2c1
InChIInChI=1S/C11H10ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-5,14H,6H2,1H3
InChIKeyZULSNMQBGIVMGC-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.69
Rot. Bonds1

About (2-chloro-7-methylquinolin-3-yl)methanol

(2-chloro-7-methylquinolin-3-yl)methanol (PubChem CID 828414) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (2-chloro-7-methylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-7-methylquinolin-3-yl)methanol
PubChem CID828414
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(2-chloro-7-methylquinolin-3-yl)methanol
SMILESCc1ccc2cc(CO)c(Cl)nc2c1
InChIInChI=1S/C11H10ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-5,14H,6H2,1H3
InChIKeyZULSNMQBGIVMGC-UHFFFAOYSA-N
XLogP2.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-methylquinolin-3-yl)methanol?
The IUPAC name of (2-chloro-7-methylquinolin-3-yl)methanol (CID 828414) is (2-chloro-7-methylquinolin-3-yl)methanol.
What is the SMILES notation for (2-chloro-7-methylquinolin-3-yl)methanol?
The canonical SMILES for (2-chloro-7-methylquinolin-3-yl)methanol is Cc1ccc2cc(CO)c(Cl)nc2c1.
What is the InChIKey of (2-chloro-7-methylquinolin-3-yl)methanol?
The InChIKey is ZULSNMQBGIVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-5,14H,6H2,1H3.
What are the key properties of (2-chloro-7-methylquinolin-3-yl)methanol?
(2-chloro-7-methylquinolin-3-yl)methanol has a molecular weight of 207.66 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-methylquinolin-3-yl)methanol is sourced from PubChem (CID 828414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).