(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride

C8H11Cl2FN2 — CID 171198839

IUPAC(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1ccncc1Cl
InChIInChI=1S/C8H10ClFN2.ClH/c9-7-5-12-4-2-6(7)8(11)1-3-10;/h2,4-5,8H,1,3,11H2;1H/t8-;/m1./s1
InChIKeyCEZGIAZJHJHLKV-DDWIOCJRSA-N
MW225.09 g/mol
LogP2.52
Rot. Bonds3

About (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171198839) has the molecular formula C8H11Cl2FN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171198839
Molecular FormulaC8H11Cl2FN2
Molecular Weight225.09 g/mol
Exact Mass224.03
IUPAC Name(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1ccncc1Cl
InChIInChI=1S/C8H10ClFN2.ClH/c9-7-5-12-4-2-6(7)8(11)1-3-10;/h2,4-5,8H,1,3,11H2;1H/t8-;/m1./s1
InChIKeyCEZGIAZJHJHLKV-DDWIOCJRSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204667
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
CID 165494271
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride (CID 171198839) is (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride is Cl.N[C@H](CCF)c1ccncc1Cl.
What is the InChIKey of (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is CEZGIAZJHJHLKV-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H10ClFN2.ClH/c9-7-5-12-4-2-6(7)8(11)1-3-10;/h2,4-5,8H,1,3,11H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 225.09 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171198839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).