1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol

C9H12ClNO — CID 90923258

IUPAC1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ncccc1Cl
InChIInChI=1S/C9H12ClNO/c1-9(2,12)6-8-7(10)4-3-5-11-8/h3-5,12H,6H2,1-2H3
InChIKeyHFQRGMFOHQBUNJ-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.05
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol

1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol (PubChem CID 90923258) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
PubChem CID90923258
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ncccc1Cl
InChIInChI=1S/C9H12ClNO/c1-9(2,12)6-8-7(10)4-3-5-11-8/h3-5,12H,6H2,1-2H3
InChIKeyHFQRGMFOHQBUNJ-UHFFFAOYSA-N
XLogP2.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
1-(3-chloro-2-pyridinyl)pentan-2-ol
CID 63201642
lithium 2-(3-chloro-2-pyridinyl)acetate
CID 133054150
[3-(2-chlorophenyl)-2-pyridinyl]methanol
CID 154672762
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
3-(2-chlorophenyl)-2-ethylpyridine
CID 118357808
3-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 175762355
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
CID 64813224
4-(3-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 53403784

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol (CID 90923258) is 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol is CC(C)(O)Cc1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol?
The InChIKey is HFQRGMFOHQBUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-9(2,12)6-8-7(10)4-3-5-11-8/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol?
1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol has a molecular weight of 185.65 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol is sourced from PubChem (CID 90923258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).