2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine

C15H16ClFN4 — CID 172610165

IUPAC2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCn1cnnc1[C@](F)(c1cc(Cl)nc(C2CC2)c1)C1CC1
InChIInChI=1S/C15H16ClFN4/c1-21-8-18-20-14(21)15(17,10-4-5-10)11-6-12(9-2-3-9)19-13(16)7-11/h6-10H,2-5H2,1H3/t15-/m1/s1
InChIKeyBNSUGDQNQAOAKZ-OAHLLOKOSA-N
MW306.77 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine

2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine (PubChem CID 172610165) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
PubChem CID172610165
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCn1cnnc1[C@](F)(c1cc(Cl)nc(C2CC2)c1)C1CC1
InChIInChI=1S/C15H16ClFN4/c1-21-8-18-20-14(21)15(17,10-4-5-10)11-6-12(9-2-3-9)19-13(16)7-11/h6-10H,2-5H2,1H3/t15-/m1/s1
InChIKeyBNSUGDQNQAOAKZ-OAHLLOKOSA-N
XLogP3.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine?
The IUPAC name of 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine (CID 172610165) is 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine is Cn1cnnc1[C@](F)(c1cc(Cl)nc(C2CC2)c1)C1CC1.
What is the InChIKey of 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine?
The InChIKey is BNSUGDQNQAOAKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-21-8-18-20-14(21)15(17,10-4-5-10)11-6-12(9-2-3-9)19-13(16)7-11/h6-10H,2-5H2,1H3/t15-/m1/s1.
What are the key properties of 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine?
2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine has a molecular weight of 306.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-4-[(R)-cyclopropyl-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine is sourced from PubChem (CID 172610165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).