6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine

C10H12ClFN2 — CID 130703952

IUPAC6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine
SMILESCc1nc(Cl)ccc1NCC1(F)CC1
InChIInChI=1S/C10H12ClFN2/c1-7-8(2-3-9(11)14-7)13-6-10(12)4-5-10/h2-3,13H,4-6H2,1H3
InChIKeyRHTLXAVUQHFXQM-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.96
Rot. Bonds3

About 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine

6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine (PubChem CID 130703952) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine
PubChem CID130703952
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine
SMILESCc1nc(Cl)ccc1NCC1(F)CC1
InChIInChI=1S/C10H12ClFN2/c1-7-8(2-3-9(11)14-7)13-6-10(12)4-5-10/h2-3,13H,4-6H2,1H3
InChIKeyRHTLXAVUQHFXQM-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.96
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-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine (CID 130703952) is 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine is Cc1nc(Cl)ccc1NCC1(F)CC1.
What is the InChIKey of 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is RHTLXAVUQHFXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-7-8(2-3-9(11)14-7)13-6-10(12)4-5-10/h2-3,13H,4-6H2,1H3.
What are the key properties of 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine?
6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine has a molecular weight of 214.67 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-fluorocyclopropyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 130703952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).