(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride

C7H9Cl2FN2 — CID 171218336

IUPAC(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccncc1Cl
InChIInChI=1S/C7H8ClFN2.ClH/c8-6-4-11-2-1-5(6)7(10)3-9;/h1-2,4,7H,3,10H2;1H/t7-;/m0./s1
InChIKeyNNINEKXHMITCSH-FJXQXJEOSA-N
MW211.07 g/mol
LogP2.13
Rot. Bonds2

About (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171218336) has the molecular formula C7H9Cl2FN2 and a molecular weight of 211.07 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
PubChem CID171218336
Molecular FormulaC7H9Cl2FN2
Molecular Weight211.07 g/mol
Exact Mass210.01
IUPAC Name(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccncc1Cl
InChIInChI=1S/C7H8ClFN2.ClH/c8-6-4-11-2-1-5(6)7(10)3-9;/h1-2,4,7H,3,10H2;1H/t7-;/m0./s1
InChIKeyNNINEKXHMITCSH-FJXQXJEOSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
CID 165494271
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
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)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride (CID 171218336) is (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1ccncc1Cl.
What is the InChIKey of (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is NNINEKXHMITCSH-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H8ClFN2.ClH/c8-6-4-11-2-1-5(6)7(10)3-9;/h1-2,4,7H,3,10H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 211.07 g/mol, XLogP of 2.13, 2 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)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171218336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).