1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine

C13H12ClFN2 — CID 43118828

IUPAC1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
SMILESNC(Cc1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2/c14-10-5-3-6-11(15)13(10)12(16)8-9-4-1-2-7-17-9/h1-7,12H,8,16H2
InChIKeyLKKWXRCWRDLFSP-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.12
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine

1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine (PubChem CID 43118828) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
PubChem CID43118828
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
SMILESNC(Cc1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2/c14-10-5-3-6-11(15)13(10)12(16)8-9-4-1-2-7-17-9/h1-7,12H,8,16H2
InChIKeyLKKWXRCWRDLFSP-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 19973560
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
CID 81262929
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
CID 66461583
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine (CID 43118828) is 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine is NC(Cc1ccccn1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine?
The InChIKey is LKKWXRCWRDLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-10-5-3-6-11(15)13(10)12(16)8-9-4-1-2-7-17-9/h1-7,12H,8,16H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine?
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine has a molecular weight of 250.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 43118828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).