(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine

C10H12ClFN2 — CID 130632445

IUPAC(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1cc(F)cnc1Cl
InChIInChI=1S/C10H12ClFN2/c11-10-8(4-7(12)5-14-10)9(13)3-6-1-2-6/h4-6,9H,1-3,13H2/t9-/m0/s1
InChIKeyLUWPFPMLZOPIRZ-VIFPVBQESA-N
MW214.67 g/mol
LogP2.67
Rot. Bonds3

About (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine

(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine (PubChem CID 130632445) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine
PubChem CID130632445
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1cc(F)cnc1Cl
InChIInChI=1S/C10H12ClFN2/c11-10-8(4-7(12)5-14-10)9(13)3-6-1-2-6/h4-6,9H,1-3,13H2/t9-/m0/s1
InChIKeyLUWPFPMLZOPIRZ-VIFPVBQESA-N
XLogP2.67
TPSA38.91 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 ≤ 52.67
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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Related Compounds

(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)but-3-en-1-amine
CID 130865138
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
CID 130820768
2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
CID 162091541
(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine
CID 131486817
(1R)-2-cyclopropyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171209096
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
3-(1-amino-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 55295743
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine (CID 130632445) is (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine is N[C@@H](CC1CC1)c1cc(F)cnc1Cl.
What is the InChIKey of (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine?
The InChIKey is LUWPFPMLZOPIRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-10-8(4-7(12)5-14-10)9(13)3-6-1-2-6/h4-6,9H,1-3,13H2/t9-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine?
(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine has a molecular weight of 214.67 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine is sourced from PubChem (CID 130632445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).