(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride

C9H15ClFN3 — CID 171203348

IUPAC(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1cccnc1F
InChIInChI=1S/C9H14FN3.ClH/c10-9-7(3-2-6-13-9)8(12)4-1-5-11;/h2-3,6,8H,1,4-5,11-12H2;1H/t8-;/m1./s1
InChIKeyBYFHTZMXZPIDCR-DDWIOCJRSA-N
MW219.69 g/mol
LogP1.38
Rot. Bonds4

About (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride

(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride (PubChem CID 171203348) has the molecular formula C9H15ClFN3 and a molecular weight of 219.69 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
PubChem CID171203348
Molecular FormulaC9H15ClFN3
Molecular Weight219.69 g/mol
Exact Mass219.09
IUPAC Name(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1cccnc1F
InChIInChI=1S/C9H14FN3.ClH/c10-9-7(3-2-6-13-9)8(12)4-1-5-11;/h2-3,6,8H,1,4-5,11-12H2;1H/t8-;/m1./s1
InChIKeyBYFHTZMXZPIDCR-DDWIOCJRSA-N
XLogP1.38
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.38
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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Related Compounds

(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171203362
(1S)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171222929
(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171312984
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
(1S)-1-(3-fluoro-2-methoxyphenyl)butane-1,4-diamine
CID 171221260
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride (CID 171203348) is (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1cccnc1F.
What is the InChIKey of (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride?
The InChIKey is BYFHTZMXZPIDCR-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H14FN3.ClH/c10-9-7(3-2-6-13-9)8(12)4-1-5-11;/h2-3,6,8H,1,4-5,11-12H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171203348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).