N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine

C9H14FN3 — CID 61229371

IUPACN-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(F)n1
InChIInChI=1S/C9H14FN3/c1-13(2)7-6-11-9-5-3-4-8(10)12-9/h3-5H,6-7H2,1-2H3,(H,11,12)
InChIKeyJHKVUEFXYBQNQR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.19
Rot. Bonds4

About N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine

N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 61229371) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID61229371
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(F)n1
InChIInChI=1S/C9H14FN3/c1-13(2)7-6-11-9-5-3-4-8(10)12-9/h3-5H,6-7H2,1-2H3,(H,11,12)
InChIKeyJHKVUEFXYBQNQR-UHFFFAOYSA-N
XLogP1.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.19
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

N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62849223
N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 54337128
6-fluoro-N-pent-3-ynylpyridin-2-amine
CID 106196296
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
6-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 126990897
6-fluoro-N-prop-2-enylpyridin-2-amine
CID 103624863
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
6-N-[3-(dimethylamino)propyl]-2-N-methylpyridine-2,6-diamine
CID 80778351
N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine
CID 156639588
N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
CID 116812922
N-[6-[3-[6-[5-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 102306046

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine (CID 61229371) is N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JHKVUEFXYBQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-13(2)7-6-11-9-5-3-4-8(10)12-9/h3-5H,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 183.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 61229371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).