(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride

C8H10Cl3FN2 — CID 171204667

IUPAC(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H9Cl2FN2.ClH/c9-5-3-13-4-6(10)8(5)7(12)1-2-11;/h3-4,7H,1-2,12H2;1H/t7-;/m1./s1
InChIKeyFUCTUBDTODOVKJ-OGFXRTJISA-N
MW259.54 g/mol
LogP3.17
Rot. Bonds3

About (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171204667) has the molecular formula C8H10Cl3FN2 and a molecular weight of 259.54 g/mol. Its IUPAC name is (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171204667
Molecular FormulaC8H10Cl3FN2
Molecular Weight259.54 g/mol
Exact Mass257.99
IUPAC Name(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H9Cl2FN2.ClH/c9-5-3-13-4-6(10)8(5)7(12)1-2-11;/h3-4,7H,1-2,12H2;1H/t7-;/m1./s1
InChIKeyFUCTUBDTODOVKJ-OGFXRTJISA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224240
(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
CID 171224260
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171204661
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1S)-1-(3,5-dichloro-4-pyridinyl)but-3-en-1-amine
CID 131186746
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
CID 134466244

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride (CID 171204667) is (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride is Cl.N[C@H](CCF)c1c(Cl)cncc1Cl.
What is the InChIKey of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is FUCTUBDTODOVKJ-OGFXRTJISA-N. The full InChI is InChI=1S/C8H9Cl2FN2.ClH/c9-5-3-13-4-6(10)8(5)7(12)1-2-11;/h3-4,7H,1-2,12H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 259.54 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171204667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).