3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine

C14H10ClFN4 — CID 114717814

IUPAC3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1-c1cccc(Cl)c1F
InChIInChI=1S/C14H10ClFN4/c15-10-2-1-3-12(14(10)16)20-8-19-7-13(20)9-6-18-5-4-11(9)17/h1-8H,(H2,17,18)
InChIKeyDXXIZLUKIWVHPW-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.31
Rot. Bonds2

About 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine

3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114717814) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114717814
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1-c1cccc(Cl)c1F
InChIInChI=1S/C14H10ClFN4/c15-10-2-1-3-12(14(10)16)20-8-19-7-13(20)9-6-18-5-4-11(9)17/h1-8H,(H2,17,18)
InChIKeyDXXIZLUKIWVHPW-UHFFFAOYSA-N
XLogP3.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine (CID 114717814) is 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1-c1cccc(Cl)c1F.
What is the InChIKey of 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is DXXIZLUKIWVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-10-2-1-3-12(14(10)16)20-8-19-7-13(20)9-6-18-5-4-11(9)17/h1-8H,(H2,17,18).
What are the key properties of 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 288.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114717814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).