N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine

C13H12ClFN2 — CID 133356517

IUPACN-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2/c1-9(17-12-7-2-3-8-16-12)13-10(14)5-4-6-11(13)15/h2-9H,1H3,(H,16,17)
InChIKeyVTQYXAJZAOUFGP-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine

N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 133356517) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID133356517
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2/c1-9(17-12-7-2-3-8-16-12)13-10(14)5-4-6-11(13)15/h2-9H,1H3,(H,16,17)
InChIKeyVTQYXAJZAOUFGP-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
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CID 40547635
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
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N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133356492
dichlorocobalt;N-propan-2-ylpyridin-2-amine
CID 175191424
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
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2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
1-(pyridin-2-ylamino)ethanol
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2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine (CID 133356517) is N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine is CC(Nc1ccccn1)c1c(F)cccc1Cl.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is VTQYXAJZAOUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(17-12-7-2-3-8-16-12)13-10(14)5-4-6-11(13)15/h2-9H,1H3,(H,16,17).
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine?
N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 250.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133356517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).