(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride

C8H9Cl3F2N2 — CID 171312995

IUPAC(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl2F2N2.ClH/c9-6-2-1-4(8(10)14-6)5(13)3-7(11)12;/h1-2,5,7H,3,13H2;1H/t5-;/m0./s1
InChIKeyBAIJVTHTJXFZGX-JEDNCBNOSA-N
MW277.53 g/mol
LogP3.47
Rot. Bonds3

About (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride

(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171312995) has the molecular formula C8H9Cl3F2N2 and a molecular weight of 277.53 g/mol. Its IUPAC name is (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171312995
Molecular FormulaC8H9Cl3F2N2
Molecular Weight277.53 g/mol
Exact Mass275.98
IUPAC Name(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl2F2N2.ClH/c9-6-2-1-4(8(10)14-6)5(13)3-7(11)12;/h1-2,5,7H,3,13H2;1H/t5-;/m0./s1
InChIKeyBAIJVTHTJXFZGX-JEDNCBNOSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.53
LogP ≤ 53.47
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-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine
CID 130613098
(1S)-1-(2,6-dichloro-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171223118
(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171223124
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171203557
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
ethyl (3S)-3-amino-3-(2,6-dichloro-3-pyridinyl)propanoate
CID 171223154
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313878
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171312995) is (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1ccc(Cl)nc1Cl.
What is the InChIKey of (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is BAIJVTHTJXFZGX-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H8Cl2F2N2.ClH/c9-6-2-1-4(8(10)14-6)5(13)3-7(11)12;/h1-2,5,7H,3,13H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 277.53 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171312995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).