5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine

C11H12ClFN4 — CID 79727326

IUPAC5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1ccnc1)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H12ClFN4/c1-8(6-17-3-2-14-7-17)16-11-10(13)4-9(12)5-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyVBMSOLDSIOZZRO-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.57
Rot. Bonds4

About 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine

5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 79727326) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID79727326
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1ccnc1)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H12ClFN4/c1-8(6-17-3-2-14-7-17)16-11-10(13)4-9(12)5-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyVBMSOLDSIOZZRO-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine (CID 79727326) is 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine is CC(Cn1ccnc1)Nc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is VBMSOLDSIOZZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-8(6-17-3-2-14-7-17)16-11-10(13)4-9(12)5-15-11/h2-5,7-8H,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 254.70 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 79727326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).