chloro(isoquinolin-7-yl)methanol

C10H8ClNO — CID 174413098

IUPACchloro(isoquinolin-7-yl)methanol
SMILESOC(Cl)c1ccc2ccncc2c1
InChIInChI=1S/C10H8ClNO/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-6,10,13H
InChIKeySKMRZDVHCBKEMM-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.46
Rot. Bonds1

About chloro(isoquinolin-7-yl)methanol

chloro(isoquinolin-7-yl)methanol (PubChem CID 174413098) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is chloro(isoquinolin-7-yl)methanol.

Molecular Properties

Compound Namechloro(isoquinolin-7-yl)methanol
PubChem CID174413098
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Namechloro(isoquinolin-7-yl)methanol
SMILESOC(Cl)c1ccc2ccncc2c1
InChIInChI=1S/C10H8ClNO/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-6,10,13H
InChIKeySKMRZDVHCBKEMM-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
CID 167764455
1-isoquinolin-6-yl-4-sulfanylbutane-1,2-diol
CID 171874310
6-pentan-3-ylisoquinoline
CID 126576058
2-isoquinolin-6-ylpropanamide
CID 66599621
isoquinoline-7-carboxylic acid
CID 18468721
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
isoquinoline-7-sulfonyl chloride
CID 22994526
N,N-dimethylisoquinolin-7-amine
CID 82572114
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 86288293
2-isoquinolin-7-ylphenol
CID 68897209
S-isoquinolin-7-yl ethanethioate
CID 86187057
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666

Frequently Asked Questions

What is the IUPAC name of chloro(isoquinolin-7-yl)methanol?
The IUPAC name of chloro(isoquinolin-7-yl)methanol (CID 174413098) is chloro(isoquinolin-7-yl)methanol.
What is the SMILES notation for chloro(isoquinolin-7-yl)methanol?
The canonical SMILES for chloro(isoquinolin-7-yl)methanol is OC(Cl)c1ccc2ccncc2c1.
What is the InChIKey of chloro(isoquinolin-7-yl)methanol?
The InChIKey is SKMRZDVHCBKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-6,10,13H.
What are the key properties of chloro(isoquinolin-7-yl)methanol?
chloro(isoquinolin-7-yl)methanol has a molecular weight of 193.63 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(isoquinolin-7-yl)methanol is sourced from PubChem (CID 174413098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).