3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine

C7H3ClF5N — CID 130095577

IUPAC3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1c(Cl)cncc1C(F)(F)F
InChIInChI=1S/C7H3ClF5N/c8-4-2-14-1-3(7(11,12)13)5(4)6(9)10/h1-2,6H
InChIKeyPZAKNWGWXKRPKR-UHFFFAOYSA-N
MW231.55 g/mol
LogP3.69
Rot. Bonds1

About 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine

3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine (PubChem CID 130095577) has the molecular formula C7H3ClF5N and a molecular weight of 231.55 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
PubChem CID130095577
Molecular FormulaC7H3ClF5N
Molecular Weight231.55 g/mol
Exact Mass230.99
IUPAC Name3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1c(Cl)cncc1C(F)(F)F
InChIInChI=1S/C7H3ClF5N/c8-4-2-14-1-3(7(11,12)13)5(4)6(9)10/h1-2,6H
InChIKeyPZAKNWGWXKRPKR-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134664093
[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134671455
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118810424
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
4-bromo-3,5-bis(trifluoromethyl)pyridine
CID 131530790
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 134672402
(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol
CID 131518372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine (CID 130095577) is 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine is FC(F)c1c(Cl)cncc1C(F)(F)F.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is PZAKNWGWXKRPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5N/c8-4-2-14-1-3(7(11,12)13)5(4)6(9)10/h1-2,6H.
What are the key properties of 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 231.55 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130095577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).