5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine

C11H7ClF2N2 — CID 175669976

IUPAC5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
SMILESNc1ncc(-c2cc(F)cc(Cl)c2)cc1F
InChIInChI=1S/C11H7ClF2N2/c12-8-1-6(2-9(13)4-8)7-3-10(14)11(15)16-5-7/h1-5H,(H2,15,16)
InChIKeyKVOHVBJCMKVYRX-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.26
Rot. Bonds1

About 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine

5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine (PubChem CID 175669976) has the molecular formula C11H7ClF2N2 and a molecular weight of 240.64 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
PubChem CID175669976
Molecular FormulaC11H7ClF2N2
Molecular Weight240.64 g/mol
Exact Mass240.03
IUPAC Name5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
SMILESNc1ncc(-c2cc(F)cc(Cl)c2)cc1F
InChIInChI=1S/C11H7ClF2N2/c12-8-1-6(2-9(13)4-8)7-3-10(14)11(15)16-5-7/h1-5H,(H2,15,16)
InChIKeyKVOHVBJCMKVYRX-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine (CID 175669976) is 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine is Nc1ncc(-c2cc(F)cc(Cl)c2)cc1F.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine?
The InChIKey is KVOHVBJCMKVYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2/c12-8-1-6(2-9(13)4-8)7-3-10(14)11(15)16-5-7/h1-5H,(H2,15,16).
What are the key properties of 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine?
5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine has a molecular weight of 240.64 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 175669976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).