(2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol

C9H11ClFNO — CID 58333542

IUPAC(2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1nc(Cl)c(CO)cc1F
InChIInChI=1S/C9H11ClFNO/c1-5(2)8-7(11)3-6(4-13)9(10)12-8/h3,5,13H,4H2,1-2H3
InChIKeySYJAEQPVSLGEHS-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.49
Rot. Bonds2

About (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol

(2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol (PubChem CID 58333542) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol
PubChem CID58333542
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1nc(Cl)c(CO)cc1F
InChIInChI=1S/C9H11ClFNO/c1-5(2)8-7(11)3-6(4-13)9(10)12-8/h3,5,13H,4H2,1-2H3
InChIKeySYJAEQPVSLGEHS-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.49
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-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol (CID 58333542) is (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol is CC(C)c1nc(Cl)c(CO)cc1F.
What is the InChIKey of (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol?
The InChIKey is SYJAEQPVSLGEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5(2)8-7(11)3-6(4-13)9(10)12-8/h3,5,13H,4H2,1-2H3.
What are the key properties of (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol?
(2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol has a molecular weight of 203.64 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-6-propan-2-yl-3-pyridinyl)methanol is sourced from PubChem (CID 58333542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).