1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione

C10H9ClN6O4 — CID 63799778

IUPAC1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione
SMILESNNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9ClN6O4/c11-5-1-2-8(15-12)13-6(5)3-16-4-7(17(20)21)9(18)14-10(16)19/h1-2,4H,3,12H2,(H,13,15)(H,14,18,19)
InChIKeyDUAJBUQELSVBNI-UHFFFAOYSA-N
MW312.67 g/mol
LogP-0.17
Rot. Bonds4

About 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione

1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione (PubChem CID 63799778) has the molecular formula C10H9ClN6O4 and a molecular weight of 312.67 g/mol. Its IUPAC name is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione
PubChem CID63799778
Molecular FormulaC10H9ClN6O4
Molecular Weight312.67 g/mol
Exact Mass312.04
IUPAC Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione
SMILESNNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9ClN6O4/c11-5-1-2-8(15-12)13-6(5)3-16-4-7(17(20)21)9(18)14-10(16)19/h1-2,4H,3,12H2,(H,13,15)(H,14,18,19)
InChIKeyDUAJBUQELSVBNI-UHFFFAOYSA-N
XLogP-0.17
TPSA148.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

1-[(3,4-dichlorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 24757187
1-[(4-fluorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810824
1-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810817
5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione
CID 66424788
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63558194
1-[(3-chlorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63811437
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 79765110
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpyrazine-2,3-dione
CID 62928048
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one
CID 63206789
1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-nitropyrimidine-2,4-dione
CID 56790255
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328744
[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62886125

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione (CID 63799778) is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione is NNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione?
The InChIKey is DUAJBUQELSVBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O4/c11-5-1-2-8(15-12)13-6(5)3-16-4-7(17(20)21)9(18)14-10(16)19/h1-2,4H,3,12H2,(H,13,15)(H,14,18,19).
What are the key properties of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione?
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione has a molecular weight of 312.67 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 63799778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).