(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol

C12H7Cl2F2NO — CID 79780694

IUPAC(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F2NO/c13-7-4-8(14)11(17-5-7)12(18)6-1-2-9(15)10(16)3-6/h1-5,12,18H
InChIKeyMXVPZIHIFBZLQQ-UHFFFAOYSA-N
MW290.10 g/mol
LogP3.75
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol

(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol (PubChem CID 79780694) has the molecular formula C12H7Cl2F2NO and a molecular weight of 290.10 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
PubChem CID79780694
Molecular FormulaC12H7Cl2F2NO
Molecular Weight290.10 g/mol
Exact Mass288.99
IUPAC Name(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F2NO/c13-7-4-8(14)11(17-5-7)12(18)6-1-2-9(15)10(16)3-6/h1-5,12,18H
InChIKeyMXVPZIHIFBZLQQ-UHFFFAOYSA-N
XLogP3.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093
(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 79780527
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
[(4-chlorophenyl)-(3,5-dichloro-2-pyridinyl)methyl]hydrazine
CID 105248688
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol
CID 103443403
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
(3,5-dichloro-2-pyridinyl)-pyrazin-2-ylmethanol
CID 79779870

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol (CID 79780694) is (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol?
The InChIKey is MXVPZIHIFBZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO/c13-7-4-8(14)11(17-5-7)12(18)6-1-2-9(15)10(16)3-6/h1-5,12,18H.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol?
(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol has a molecular weight of 290.10 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 79780694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).