4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine

C12H16ClF2N3 — CID 139300242

IUPAC4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine
SMILESNCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H16ClF2N3/c13-10-5-8(7-16)6-11(18-10)17-9-1-3-12(14,15)4-2-9/h5-6,9H,1-4,7,16H2,(H,17,18)
InChIKeyQWLPZVLJLRGTOZ-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.18
Rot. Bonds3

About 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine

4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine (PubChem CID 139300242) has the molecular formula C12H16ClF2N3 and a molecular weight of 275.73 g/mol. Its IUPAC name is 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine
PubChem CID139300242
Molecular FormulaC12H16ClF2N3
Molecular Weight275.73 g/mol
Exact Mass275.10
IUPAC Name4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine
SMILESNCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H16ClF2N3/c13-10-5-8(7-16)6-11(18-10)17-9-1-3-12(14,15)4-2-9/h5-6,9H,1-4,7,16H2,(H,17,18)
InChIKeyQWLPZVLJLRGTOZ-UHFFFAOYSA-N
XLogP3.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.18
H-Bond Donors ≤ 52
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 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine (CID 139300242) is 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine is NCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.
What is the InChIKey of 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine?
The InChIKey is QWLPZVLJLRGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N3/c13-10-5-8(7-16)6-11(18-10)17-9-1-3-12(14,15)4-2-9/h5-6,9H,1-4,7,16H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine?
4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine has a molecular weight of 275.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine is sourced from PubChem (CID 139300242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).