2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol

C9H12ClNO2 — CID 84670350

IUPAC2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
SMILESCOc1cc(Cl)cnc1C(C)(C)O
InChIInChI=1S/C9H12ClNO2/c1-9(2,12)8-7(13-3)4-6(10)5-11-8/h4-5,12H,1-3H3
InChIKeyCDNFXNVVKJYSIH-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.97
Rot. Bonds2

About 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol

2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol (PubChem CID 84670350) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
PubChem CID84670350
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
SMILESCOc1cc(Cl)cnc1C(C)(C)O
InChIInChI=1S/C9H12ClNO2/c1-9(2,12)8-7(13-3)4-6(10)5-11-8/h4-5,12H,1-3H3
InChIKeyCDNFXNVVKJYSIH-UHFFFAOYSA-N
XLogP1.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine
CID 176933319
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
5-chloro-3-ethoxy-2-methoxypyridine
CID 53217397
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
CID 21288449
3-chloro-8-methoxy-1,5-naphthyridine
CID 155294269
2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine
CID 84660779

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol (CID 84670350) is 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol is COc1cc(Cl)cnc1C(C)(C)O.
What is the InChIKey of 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol?
The InChIKey is CDNFXNVVKJYSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-9(2,12)8-7(13-3)4-6(10)5-11-8/h4-5,12H,1-3H3.
What are the key properties of 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol?
2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol has a molecular weight of 201.65 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 84670350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).