2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine

C8H4ClF6NO — CID 134659693

IUPAC2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine
SMILESFc1cc(C(F)F)nc(CCl)c1OC(F)(F)F
InChIInChI=1S/C8H4ClF6NO/c9-2-5-6(17-8(13,14)15)3(10)1-4(16-5)7(11)12/h1,7H,2H2
InChIKeyQVTMQJUGXCCZPQ-UHFFFAOYSA-N
MW279.57 g/mol
LogP3.80
Rot. Bonds3

About 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine

2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine (PubChem CID 134659693) has the molecular formula C8H4ClF6NO and a molecular weight of 279.57 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine
PubChem CID134659693
Molecular FormulaC8H4ClF6NO
Molecular Weight279.57 g/mol
Exact Mass278.99
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine
SMILESFc1cc(C(F)F)nc(CCl)c1OC(F)(F)F
InChIInChI=1S/C8H4ClF6NO/c9-2-5-6(17-8(13,14)15)3(10)1-4(16-5)7(11)12/h1,7H,2H2
InChIKeyQVTMQJUGXCCZPQ-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
ethyl 2-[2-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671836
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
2-[6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133096243
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine (CID 134659693) is 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine is Fc1cc(C(F)F)nc(CCl)c1OC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine?
The InChIKey is QVTMQJUGXCCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6NO/c9-2-5-6(17-8(13,14)15)3(10)1-4(16-5)7(11)12/h1,7H,2H2.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine?
2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine has a molecular weight of 279.57 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134659693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).