(6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine

C12H16ClFN2 — CID 144756996

IUPAC(6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine
SMILESNC(c1cccc(Cl)n1)C1CCC(F)CC1
InChIInChI=1S/C12H16ClFN2/c13-11-3-1-2-10(16-11)12(15)8-4-6-9(14)7-5-8/h1-3,8-9,12H,4-7,15H2
InChIKeyZLYBFLFYYDFZSD-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.26
Rot. Bonds2

About (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine

(6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine (PubChem CID 144756996) has the molecular formula C12H16ClFN2 and a molecular weight of 242.73 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine
PubChem CID144756996
Molecular FormulaC12H16ClFN2
Molecular Weight242.73 g/mol
Exact Mass242.10
IUPAC Name(6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine
SMILESNC(c1cccc(Cl)n1)C1CCC(F)CC1
InChIInChI=1S/C12H16ClFN2/c13-11-3-1-2-10(16-11)12(15)8-4-6-9(14)7-5-8/h1-3,8-9,12H,4-7,15H2
InChIKeyZLYBFLFYYDFZSD-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine?
The IUPAC name of (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine (CID 144756996) is (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine.
What is the SMILES notation for (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine?
The canonical SMILES for (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine is NC(c1cccc(Cl)n1)C1CCC(F)CC1.
What is the InChIKey of (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine?
The InChIKey is ZLYBFLFYYDFZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-3-1-2-10(16-11)12(15)8-4-6-9(14)7-5-8/h1-3,8-9,12H,4-7,15H2.
What are the key properties of (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine?
(6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine has a molecular weight of 242.73 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-(4-fluorocyclohexyl)methanamine is sourced from PubChem (CID 144756996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).