5-chloro-4-ethynyl-3-fluoropyridin-2-amine

C7H4ClFN2 — CID 170904337

IUPAC5-chloro-4-ethynyl-3-fluoropyridin-2-amine
SMILESC#Cc1c(Cl)cnc(N)c1F
InChIInChI=1S/C7H4ClFN2/c1-2-4-5(8)3-11-7(10)6(4)9/h1,3H,(H2,10,11)
InChIKeyQJYPWDFSXQVUHQ-UHFFFAOYSA-N
MW170.57 g/mol
LogP1.44
Rot. Bonds

About 5-chloro-4-ethynyl-3-fluoropyridin-2-amine

5-chloro-4-ethynyl-3-fluoropyridin-2-amine (PubChem CID 170904337) has the molecular formula C7H4ClFN2 and a molecular weight of 170.57 g/mol. Its IUPAC name is 5-chloro-4-ethynyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-ethynyl-3-fluoropyridin-2-amine
PubChem CID170904337
Molecular FormulaC7H4ClFN2
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name5-chloro-4-ethynyl-3-fluoropyridin-2-amine
SMILESC#Cc1c(Cl)cnc(N)c1F
InChIInChI=1S/C7H4ClFN2/c1-2-4-5(8)3-11-7(10)6(4)9/h1,3H,(H2,10,11)
InChIKeyQJYPWDFSXQVUHQ-UHFFFAOYSA-N
XLogP1.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethynyl-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-4-ethynyl-3-fluoropyridin-2-amine (CID 170904337) is 5-chloro-4-ethynyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-4-ethynyl-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-4-ethynyl-3-fluoropyridin-2-amine is C#Cc1c(Cl)cnc(N)c1F.
What is the InChIKey of 5-chloro-4-ethynyl-3-fluoropyridin-2-amine?
The InChIKey is QJYPWDFSXQVUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2/c1-2-4-5(8)3-11-7(10)6(4)9/h1,3H,(H2,10,11).
What are the key properties of 5-chloro-4-ethynyl-3-fluoropyridin-2-amine?
5-chloro-4-ethynyl-3-fluoropyridin-2-amine has a molecular weight of 170.57 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethynyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 170904337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).