(2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol

C12H8ClF2NO — CID 3061981

IUPAC(2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1cccnc1Cl
InChIInChI=1S/C12H8ClF2NO/c13-12-9(2-1-5-16-12)11(17)8-4-3-7(14)6-10(8)15/h1-6,11,17H
InChIKeyDETCBKIOSVYTIW-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.09
Rot. Bonds2

About (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol

(2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol (PubChem CID 3061981) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol
PubChem CID3061981
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name(2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1cccnc1Cl
InChIInChI=1S/C12H8ClF2NO/c13-12-9(2-1-5-16-12)11(17)8-4-3-7(14)6-10(8)15/h1-6,11,17H
InChIKeyDETCBKIOSVYTIW-UHFFFAOYSA-N
XLogP3.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.09
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-3-pyridinyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol (CID 3061981) is (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol is OC(c1ccc(F)cc1F)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol?
The InChIKey is DETCBKIOSVYTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-12-9(2-1-5-16-12)11(17)8-4-3-7(14)6-10(8)15/h1-6,11,17H.
What are the key properties of (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol?
(2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol has a molecular weight of 255.65 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 3061981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).