[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol

C7H5BrClF2NO — CID 118845394

IUPAC[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C7H5BrClF2NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1,7,13H,2H2
InChIKeyQGGOOKHNMWNHRC-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.93
Rot. Bonds2

About [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol

[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 118845394) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID118845394
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C7H5BrClF2NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1,7,13H,2H2
InChIKeyQGGOOKHNMWNHRC-UHFFFAOYSA-N
XLogP2.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130071902
[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119020401
[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130070086
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110275
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol (CID 118845394) is [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol is OCc1cnc(C(F)F)c(Cl)c1Br.
What is the InChIKey of [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is QGGOOKHNMWNHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1,7,13H,2H2.
What are the key properties of [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 272.48 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118845394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).