(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol

C12H11FN2O — CID 141423711

IUPAC(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol
SMILESCc1nccc(C(O)c2ccccn2)c1F
InChIInChI=1S/C12H11FN2O/c1-8-11(13)9(5-7-14-8)12(16)10-4-2-3-6-15-10/h2-7,12,16H,1H3
InChIKeyXAKQYVZGORJNFQ-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.01
Rot. Bonds2

About (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol

(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol (PubChem CID 141423711) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol
PubChem CID141423711
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol
SMILESCc1nccc(C(O)c2ccccn2)c1F
InChIInChI=1S/C12H11FN2O/c1-8-11(13)9(5-7-14-8)12(16)10-4-2-3-6-15-10/h2-7,12,16H,1H3
InChIKeyXAKQYVZGORJNFQ-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(4-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 66271587
(R)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292895
(S)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292894
(S)-(3,5-dimethylphenyl)-pyridin-2-ylmethanol
CID 1203668
(6-methyl-2-pyridinyl)-pyridin-2-ylmethanol
CID 121012811
(3,5-difluorophenyl)-pyridin-2-ylmethanol
CID 62790290
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol?
The IUPAC name of (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol (CID 141423711) is (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol.
What is the SMILES notation for (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol?
The canonical SMILES for (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol is Cc1nccc(C(O)c2ccccn2)c1F.
What is the InChIKey of (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol?
The InChIKey is XAKQYVZGORJNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-11(13)9(5-7-14-8)12(16)10-4-2-3-6-15-10/h2-7,12,16H,1H3.
What are the key properties of (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol?
(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol has a molecular weight of 218.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol is sourced from PubChem (CID 141423711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).