HFMVYUIRZGCLID-SKDRFNHKSA-N

C₁₄H₁₈ClFN₄ — CID 86663355

About HFMVYUIRZGCLID-SKDRFNHKSA-N

HFMVYUIRZGCLID-SKDRFNHKSA-N (PubChem CID 86663355) has the molecular formula C₁₄H₁₈ClFN₄ and a molecular weight of 296.78 g/mol. Its IUPAC name is 6-[(3R)-3-[(1S)-1-amino-2-methylpropyl]pyrrolidin-1-yl]-2-chloro-5-fluoropyridine-3-carbonitrile.

Molecular Properties

• Compound Name: HFMVYUIRZGCLID-SKDRFNHKSA-N
• PubChem CID: 86663355
• Molecular Formula: C₁₄H₁₈ClFN₄
• Molecular Weight: 296.78 g/mol
• Exact Mass: 296.12
• IUPAC Name: 6-[(3R)-3-[(1S)-1-amino-2-methylpropyl]pyrrolidin-1-yl]-2-chloro-5-fluoropyridine-3-carbonitrile
• SMILES: CC(C)[C@H](N)[C@@H]1CCN(c2nc(Cl)c(C#N)cc2F)C1
• InChI: InChI=1S/C14H18ClFN4/c1-8(2)12(18)9-3-4-20(7-9)14-11(16)5-10(6-17)13(15)19-14/h5,8-9,12H,3-4,7,18H2,1-2H3/t9-,12+/m1/s1
• InChIKey: HFMVYUIRZGCLID-SKDRFNHKSA-N
• XLogP: 2.56
• TPSA: 65.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.78
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of HFMVYUIRZGCLID-SKDRFNHKSA-N?

The IUPAC name of HFMVYUIRZGCLID-SKDRFNHKSA-N (CID 86663355) is 6-[(3R)-3-[(1S)-1-amino-2-methylpropyl]pyrrolidin-1-yl]-2-chloro-5-fluoropyridine-3-carbonitrile.

What is the SMILES notation for HFMVYUIRZGCLID-SKDRFNHKSA-N?

The canonical SMILES for HFMVYUIRZGCLID-SKDRFNHKSA-N is CC(C)[C@H](N)[C@@H]1CCN(c2nc(Cl)c(C#N)cc2F)C1.

What is the InChIKey of HFMVYUIRZGCLID-SKDRFNHKSA-N?

The InChIKey is HFMVYUIRZGCLID-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H18ClFN4/c1-8(2)12(18)9-3-4-20(7-9)14-11(16)5-10(6-17)13(15)19-14/h5,8-9,12H,3-4,7,18H2,1-2H3/t9-,12+/m1/s1.

What are the key properties of HFMVYUIRZGCLID-SKDRFNHKSA-N?

HFMVYUIRZGCLID-SKDRFNHKSA-N has a molecular weight of 296.78 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for HFMVYUIRZGCLID-SKDRFNHKSA-N is sourced from PubChem (CID 86663355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86663355 — identifiers, structure, computed properties (public domain)

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