4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine

C10H4ClF3N4O2 — CID 102709028

IUPAC4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N4O2/c11-9-8(18(19)20)7(16-4-17-9)5-3-15-2-1-6(5)10(12,13)14/h1-4H
InChIKeyGPGWGDGYXPGUNH-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.12
Rot. Bonds2

About 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine

4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 102709028) has the molecular formula C10H4ClF3N4O2 and a molecular weight of 304.62 g/mol. Its IUPAC name is 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID102709028
Molecular FormulaC10H4ClF3N4O2
Molecular Weight304.62 g/mol
Exact Mass304.00
IUPAC Name4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N4O2/c11-9-8(18(19)20)7(16-4-17-9)5-3-15-2-1-6(5)10(12,13)14/h1-4H
InChIKeyGPGWGDGYXPGUNH-UHFFFAOYSA-N
XLogP3.12
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine
CID 107290412
5-(6-chloro-5-nitropyrimidin-4-yl)quinoline
CID 81230889
4-chloro-6-(3-chloro-5-fluorophenyl)-5-nitropyrimidine
CID 115504731
5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709055
2-chloro-3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)pyridine
CID 119004595
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
CID 174480206
N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709064
4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde
CID 104739143
6-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62102823
1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
CID 158145766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 102709028) is 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine is O=[N+]([O-])c1c(Cl)ncnc1-c1cnccc1C(F)(F)F.
What is the InChIKey of 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is GPGWGDGYXPGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4O2/c11-9-8(18(19)20)7(16-4-17-9)5-3-15-2-1-6(5)10(12,13)14/h1-4H.
What are the key properties of 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 304.62 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 102709028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).