5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine

C7H6ClF2N3O2 — CID 130106874

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ncc(CCl)c1C(F)F
InChIInChI=1S/C7H6ClF2N3O2/c8-1-3-2-12-7(13(14)15)5(11)4(3)6(9)10/h2,6H,1,11H2
InChIKeyOVBXOHVQQKZJKA-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.25
Rot. Bonds3

About 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine

5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine (PubChem CID 130106874) has the molecular formula C7H6ClF2N3O2 and a molecular weight of 237.59 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
PubChem CID130106874
Molecular FormulaC7H6ClF2N3O2
Molecular Weight237.59 g/mol
Exact Mass237.01
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ncc(CCl)c1C(F)F
InChIInChI=1S/C7H6ClF2N3O2/c8-1-3-2-12-7(13(14)15)5(11)4(3)6(9)10/h2,6H,1,11H2
InChIKeyOVBXOHVQQKZJKA-UHFFFAOYSA-N
XLogP2.25
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130081457
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
CID 130074733
4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-nitropyridine
CID 118807283
3-(chloromethyl)-4-(difluoromethyl)-5-iodo-2-nitropyridine
CID 130086604
2-[5-bromo-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 130069833
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine (CID 130106874) is 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine is Nc1c([N+](=O)[O-])ncc(CCl)c1C(F)F.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine?
The InChIKey is OVBXOHVQQKZJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3O2/c8-1-3-2-12-7(13(14)15)5(11)4(3)6(9)10/h2,6H,1,11H2.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine?
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine has a molecular weight of 237.59 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 130106874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).