[3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol

C12H9ClFNO — CID 68756035

IUPAC[3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncccc1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H9ClFNO/c13-11-6-8(14)3-4-9(11)10-2-1-5-15-12(10)7-16/h1-6,16H,7H2
InChIKeyDPIRGWDXVSRWOW-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.03
Rot. Bonds2

About [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol

[3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol (PubChem CID 68756035) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol
PubChem CID68756035
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name[3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncccc1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H9ClFNO/c13-11-6-8(14)3-4-9(11)10-2-1-5-15-12(10)7-16/h1-6,16H,7H2
InChIKeyDPIRGWDXVSRWOW-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol (CID 68756035) is [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol is OCc1ncccc1-c1ccc(F)cc1Cl.
What is the InChIKey of [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol?
The InChIKey is DPIRGWDXVSRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-11-6-8(14)3-4-9(11)10-2-1-5-15-12(10)7-16/h1-6,16H,7H2.
What are the key properties of [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol?
[3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol has a molecular weight of 237.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-4-fluorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 68756035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).