5-chloro-4-(difluoromethyl)pyridin-2-amine

C6H5ClF2N2 — CID 119011035

IUPAC5-chloro-4-(difluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)F)c(Cl)cn1
InChIInChI=1S/C6H5ClF2N2/c7-4-2-11-5(10)1-3(4)6(8)9/h1-2,6H,(H2,10,11)
InChIKeyFYNMRRANJAXXFJ-UHFFFAOYSA-N
MW178.57 g/mol
LogP2.25
Rot. Bonds1

About 5-chloro-4-(difluoromethyl)pyridin-2-amine

5-chloro-4-(difluoromethyl)pyridin-2-amine (PubChem CID 119011035) has the molecular formula C6H5ClF2N2 and a molecular weight of 178.57 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)pyridin-2-amine
PubChem CID119011035
Molecular FormulaC6H5ClF2N2
Molecular Weight178.57 g/mol
Exact Mass178.01
IUPAC Name5-chloro-4-(difluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)F)c(Cl)cn1
InChIInChI=1S/C6H5ClF2N2/c7-4-2-11-5(10)1-3(4)6(8)9/h1-2,6H,(H2,10,11)
InChIKeyFYNMRRANJAXXFJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(difluoromethyl)pyridin-2-amine (CID 119011035) is 5-chloro-4-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(difluoromethyl)pyridin-2-amine is Nc1cc(C(F)F)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(difluoromethyl)pyridin-2-amine?
The InChIKey is FYNMRRANJAXXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2/c7-4-2-11-5(10)1-3(4)6(8)9/h1-2,6H,(H2,10,11).
What are the key properties of 5-chloro-4-(difluoromethyl)pyridin-2-amine?
5-chloro-4-(difluoromethyl)pyridin-2-amine has a molecular weight of 178.57 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119011035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).