(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol

C13H11ClFNO — CID 103443403

IUPAC(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2ncccc2Cl)ccc1F
InChIInChI=1S/C13H11ClFNO/c1-8-7-9(4-5-11(8)15)13(17)12-10(14)3-2-6-16-12/h2-7,13,17H,1H3
InChIKeyWRGHXLXEMIQNDX-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.26
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol

(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 103443403) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID103443403
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2ncccc2Cl)ccc1F
InChIInChI=1S/C13H11ClFNO/c1-8-7-9(4-5-11(8)15)13(17)12-10(14)3-2-6-16-12/h2-7,13,17H,1H3
InChIKeyWRGHXLXEMIQNDX-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628
(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
CID 107560175
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 103444823
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
CID 103443421
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol (CID 103443403) is (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2ncccc2Cl)ccc1F.
What is the InChIKey of (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is WRGHXLXEMIQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-8-7-9(4-5-11(8)15)13(17)12-10(14)3-2-6-16-12/h2-7,13,17H,1H3.
What are the key properties of (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol?
(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 251.69 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 103443403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).