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

C11H9F2N3 — CID 112675515

IUPAC3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine
SMILESNc1cccc(Nc2ncc(F)cc2F)c1
InChIInChI=1S/C11H9F2N3/c12-7-4-10(13)11(15-6-7)16-9-3-1-2-8(14)5-9/h1-6H,14H2,(H,15,16)
InChIKeyHQNRGVMYIRZKFC-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.69
Rot. Bonds2

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

3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine (PubChem CID 112675515) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine
PubChem CID112675515
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine
SMILESNc1cccc(Nc2ncc(F)cc2F)c1
InChIInChI=1S/C11H9F2N3/c12-7-4-10(13)11(15-6-7)16-9-3-1-2-8(14)5-9/h1-6H,14H2,(H,15,16)
InChIKeyHQNRGVMYIRZKFC-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 43132793
3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504
5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol
CID 143794301
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846
3-N-(5,6-dimethylpyrimidin-4-yl)benzene-1,3-diamine
CID 123347147

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine (CID 112675515) is 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine is Nc1cccc(Nc2ncc(F)cc2F)c1.
What is the InChIKey of 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine?
The InChIKey is HQNRGVMYIRZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-7-4-10(13)11(15-6-7)16-9-3-1-2-8(14)5-9/h1-6H,14H2,(H,15,16).
What are the key properties of 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine?
3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine has a molecular weight of 221.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine is sourced from PubChem (CID 112675515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).