(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine

C8H10ClFN2 — CID 171218356

IUPAC(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1ccncc1Cl
InChIInChI=1S/C8H10ClFN2/c9-7-5-12-4-2-6(7)8(11)1-3-10/h2,4-5,8H,1,3,11H2/t8-/m0/s1
InChIKeyHISRHFLVMBUFLE-QMMMGPOBSA-N
MW188.63 g/mol
LogP2.09
Rot. Bonds3

About (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine

(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine (PubChem CID 171218356) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
PubChem CID171218356
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1ccncc1Cl
InChIInChI=1S/C8H10ClFN2/c9-7-5-12-4-2-6(7)8(11)1-3-10/h2,4-5,8H,1,3,11H2/t8-/m0/s1
InChIKeyHISRHFLVMBUFLE-QMMMGPOBSA-N
XLogP2.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.09
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
(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-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204667
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 (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine (CID 171218356) is (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine is N[C@@H](CCF)c1ccncc1Cl.
What is the InChIKey of (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine?
The InChIKey is HISRHFLVMBUFLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10ClFN2/c9-7-5-12-4-2-6(7)8(11)1-3-10/h2,4-5,8H,1,3,11H2/t8-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine?
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine has a molecular weight of 188.63 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 171218356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).