[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol

C7H5Cl2F2NO — CID 119020401

IUPAC[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(Cl)c(Cl)c1C(F)F
InChIInChI=1S/C7H5Cl2F2NO/c8-5-4(7(10)11)3(2-13)1-12-6(5)9/h1,7,13H,2H2
InChIKeyWFUMRLYIWUYWQK-UHFFFAOYSA-N
MW228.02 g/mol
LogP2.82
Rot. Bonds2

About [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol

[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 119020401) has the molecular formula C7H5Cl2F2NO and a molecular weight of 228.02 g/mol. Its IUPAC name is [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID119020401
Molecular FormulaC7H5Cl2F2NO
Molecular Weight228.02 g/mol
Exact Mass226.97
IUPAC Name[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cnc(Cl)c(Cl)c1C(F)F
InChIInChI=1S/C7H5Cl2F2NO/c8-5-4(7(10)11)3(2-13)1-12-6(5)9/h1,7,13H,2H2
InChIKeyWFUMRLYIWUYWQK-UHFFFAOYSA-N
XLogP2.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130071902
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
[6-bromo-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118999574
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
CID 118850008
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598

Frequently Asked Questions

What is the IUPAC name of [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol (CID 119020401) is [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol is OCc1cnc(Cl)c(Cl)c1C(F)F.
What is the InChIKey of [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is WFUMRLYIWUYWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO/c8-5-4(7(10)11)3(2-13)1-12-6(5)9/h1,7,13H,2H2.
What are the key properties of [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol?
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 228.02 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 119020401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).