[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol

C8H7Cl2F2NO — CID 130075594

IUPAC[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(CCl)nc(C(F)F)c1Cl
InChIInChI=1S/C8H7Cl2F2NO/c9-2-5-1-4(3-14)6(10)7(13-5)8(11)12/h1,8,14H,2-3H2
InChIKeyBCNGVIUTYYQTTJ-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.90
Rot. Bonds3

About [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol

[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130075594) has the molecular formula C8H7Cl2F2NO and a molecular weight of 242.05 g/mol. Its IUPAC name is [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130075594
Molecular FormulaC8H7Cl2F2NO
Molecular Weight242.05 g/mol
Exact Mass240.99
IUPAC Name[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(CCl)nc(C(F)F)c1Cl
InChIInChI=1S/C8H7Cl2F2NO/c9-2-5-1-4(3-14)6(10)7(13-5)8(11)12/h1,8,14H,2-3H2
InChIKeyBCNGVIUTYYQTTJ-UHFFFAOYSA-N
XLogP2.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
CID 130085164
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
2-[3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130070813
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 119006322
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231
3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130068320
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol (CID 130075594) is [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol is OCc1cc(CCl)nc(C(F)F)c1Cl.
What is the InChIKey of [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is BCNGVIUTYYQTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO/c9-2-5-1-4(3-14)6(10)7(13-5)8(11)12/h1,8,14H,2-3H2.
What are the key properties of [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol?
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol has a molecular weight of 242.05 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130075594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).