[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol

C7H4Cl2F3NO — CID 170906648

IUPAC[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(Cl)cnc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H4Cl2F3NO/c8-4-1-13-6(7(10,11)12)5(9)3(4)2-14/h1,14H,2H2
InChIKeyQXZFVINMGQZEMI-UHFFFAOYSA-N
MW246.02 g/mol
LogP2.90
Rot. Bonds1

About [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol

[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 170906648) has the molecular formula C7H4Cl2F3NO and a molecular weight of 246.02 g/mol. Its IUPAC name is [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID170906648
Molecular FormulaC7H4Cl2F3NO
Molecular Weight246.02 g/mol
Exact Mass244.96
IUPAC Name[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(Cl)cnc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H4Cl2F3NO/c8-4-1-13-6(7(10,11)12)5(9)3(4)2-14/h1,14H,2H2
InChIKeyQXZFVINMGQZEMI-UHFFFAOYSA-N
XLogP2.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methanol
CID 71299062
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320
[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118989405
[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282988
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
3-chloro-5-fluoro-2-(trifluoromethyl)pyridine
CID 122706973
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol (CID 170906648) is [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol is OCc1c(Cl)cnc(C(F)(F)F)c1Cl.
What is the InChIKey of [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is QXZFVINMGQZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3NO/c8-4-1-13-6(7(10,11)12)5(9)3(4)2-14/h1,14H,2H2.
What are the key properties of [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol?
[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 246.02 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 170906648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).