3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine

C12H9ClFN3O2 — CID 175388187

IUPAC3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine
SMILESCc1c(-c2nccc(N)c2Cl)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClFN3O2/c1-6-8(4-7(14)5-10(6)17(18)19)12-11(13)9(15)2-3-16-12/h2-5H,1H3,(H2,15,16)
InChIKeyCINMAETXVCFYKQ-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.34
Rot. Bonds2

About 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine

3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine (PubChem CID 175388187) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine
PubChem CID175388187
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine
SMILESCc1c(-c2nccc(N)c2Cl)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClFN3O2/c1-6-8(4-7(14)5-10(6)17(18)19)12-11(13)9(15)2-3-16-12/h2-5H,1H3,(H2,15,16)
InChIKeyCINMAETXVCFYKQ-UHFFFAOYSA-N
XLogP3.34
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine
CID 175388180
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
4-methyl-3,5-dinitroaniline
CID 29574
3-chloro-2-methyl-4-nitropyridine
CID 21364039
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-amino-6-fluoro-2,3-dihydroisoindol-1-one;5-fluoro-2-methyl-3-nitrobenzoic acid
CID 157246519
4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine
CID 145061520
4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044646
3-chloro-2,4-dinitropyridine
CID 174686743
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine?
The IUPAC name of 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine (CID 175388187) is 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine is Cc1c(-c2nccc(N)c2Cl)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine?
The InChIKey is CINMAETXVCFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-8(4-7(14)5-10(6)17(18)19)12-11(13)9(15)2-3-16-12/h2-5H,1H3,(H2,15,16).
What are the key properties of 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine?
3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine has a molecular weight of 281.67 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine is sourced from PubChem (CID 175388187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).