[1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine

C14H13ClFN3 — CID 163404550

IUPAC[1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3ccnc(F)c3)cc2Cl)CC1
InChIInChI=1S/C14H13ClFN3/c15-11-5-10(9-1-4-18-12(16)6-9)7-19-13(11)14(8-17)2-3-14/h1,4-7H,2-3,8,17H2
InChIKeyMHYMKHZLCWXTJH-UHFFFAOYSA-N
MW277.73 g/mol
LogP2.93
Rot. Bonds3

About [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine

[1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine (PubChem CID 163404550) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine
PubChem CID163404550
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name[1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine
SMILESNCC1(c2ncc(-c3ccnc(F)c3)cc2Cl)CC1
InChIInChI=1S/C14H13ClFN3/c15-11-5-10(9-1-4-18-12(16)6-9)7-19-13(11)14(8-17)2-3-14/h1,4-7H,2-3,8,17H2
InChIKeyMHYMKHZLCWXTJH-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine (CID 163404550) is [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine is NCC1(c2ncc(-c3ccnc(F)c3)cc2Cl)CC1.
What is the InChIKey of [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine?
The InChIKey is MHYMKHZLCWXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c15-11-5-10(9-1-4-18-12(16)6-9)7-19-13(11)14(8-17)2-3-14/h1,4-7H,2-3,8,17H2.
What are the key properties of [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine?
[1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine has a molecular weight of 277.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(2-fluoro-4-pyridinyl)-2-pyridinyl]cyclopropyl]methanamine is sourced from PubChem (CID 163404550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).