6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine

C12H12FN3 — CID 61228601

IUPAC6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1cccnc1
InChIInChI=1S/C12H12FN3/c1-9(10-4-3-7-14-8-10)15-12-6-2-5-11(13)16-12/h2-9H,1H3,(H,15,16)
InChIKeyCVGQALGBYUHPIR-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.79
Rot. Bonds3

About 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine

6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine (PubChem CID 61228601) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
PubChem CID61228601
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1cccnc1
InChIInChI=1S/C12H12FN3/c1-9(10-4-3-7-14-8-10)15-12-6-2-5-11(13)16-12/h2-9H,1H3,(H,15,16)
InChIKeyCVGQALGBYUHPIR-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(1-pyridin-3-ylethylamino)pyridine-2-carbothioamide
CID 64588051
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80545517
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine (CID 61228601) is 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine is CC(Nc1cccc(F)n1)c1cccnc1.
What is the InChIKey of 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
The InChIKey is CVGQALGBYUHPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-9(10-4-3-7-14-8-10)15-12-6-2-5-11(13)16-12/h2-9H,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine?
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine has a molecular weight of 217.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 61228601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).