N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine

C9H13F2N3 — CID 112675382

IUPACN'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncc(F)cc1F
InChIInChI=1S/C9H13F2N3/c1-14(4-2-3-12)9-8(11)5-7(10)6-13-9/h5-6H,2-4,12H2,1H3
InChIKeyNFNMHUKWGRKBCB-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.14
Rot. Bonds4

About N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine

N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine (PubChem CID 112675382) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
PubChem CID112675382
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncc(F)cc1F
InChIInChI=1S/C9H13F2N3/c1-14(4-2-3-12)9-8(11)5-7(10)6-13-9/h5-6H,2-4,12H2,1H3
InChIKeyNFNMHUKWGRKBCB-UHFFFAOYSA-N
XLogP1.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 103958277
N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine
CID 112676585
5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 104918962
N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine
CID 118244996
2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 113285817
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490362
1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 82506193

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine (CID 112675382) is N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ncc(F)cc1F.
What is the InChIKey of N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The InChIKey is NFNMHUKWGRKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-14(4-2-3-12)9-8(11)5-7(10)6-13-9/h5-6H,2-4,12H2,1H3.
What are the key properties of N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine has a molecular weight of 201.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 112675382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).