(2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol

C19H14ClF2NO — CID 87537585

IUPAC(2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol
SMILESCc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C19H14ClF2NO/c1-12-8-9-17(18(20)23-12)19(24,13-4-2-6-15(21)10-13)14-5-3-7-16(22)11-14/h2-11,24H,1H3
InChIKeyQLDCJCGRVMWZFW-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.61
Rot. Bonds3

About (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol

(2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol (PubChem CID 87537585) has the molecular formula C19H14ClF2NO and a molecular weight of 345.78 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol
PubChem CID87537585
Molecular FormulaC19H14ClF2NO
Molecular Weight345.78 g/mol
Exact Mass345.07
IUPAC Name(2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol
SMILESCc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C19H14ClF2NO/c1-12-8-9-17(18(20)23-12)19(24,13-4-2-6-15(21)10-13)14-5-3-7-16(22)11-14/h2-11,24H,1H3
InChIKeyQLDCJCGRVMWZFW-UHFFFAOYSA-N
XLogP4.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.61
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-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol?
The IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol (CID 87537585) is (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol.
What is the SMILES notation for (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol?
The canonical SMILES for (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol is Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)c(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol?
The InChIKey is QLDCJCGRVMWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO/c1-12-8-9-17(18(20)23-12)19(24,13-4-2-6-15(21)10-13)14-5-3-7-16(22)11-14/h2-11,24H,1H3.
What are the key properties of (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol?
(2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol has a molecular weight of 345.78 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-3-pyridinyl)-bis(3-fluorophenyl)methanol is sourced from PubChem (CID 87537585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).