4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol

C10H14ClN3O3 — CID 113244218

IUPAC4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H14ClN3O3/c1-7(2-3-15)5-12-10-9(11)4-8(6-13-10)14(16)17/h4,6-7,15H,2-3,5H2,1H3,(H,12,13)
InChIKeyNMTCGIMSYXGQBM-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.07
Rot. Bonds6

About 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol

4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol (PubChem CID 113244218) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
PubChem CID113244218
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H14ClN3O3/c1-7(2-3-15)5-12-10-9(11)4-8(6-13-10)14(16)17/h4,6-7,15H,2-3,5H2,1H3,(H,12,13)
InChIKeyNMTCGIMSYXGQBM-UHFFFAOYSA-N
XLogP2.07
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
CID 113238783
3-methyl-4-[(5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 66107756
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
CID 133309984
2-[(3-chloro-5-nitro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323518
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-methyl-4-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 66106875
3-chloro-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 113238811
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 103721042
3-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 103730038
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol (CID 113244218) is 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol is CC(CCO)CNc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The InChIKey is NMTCGIMSYXGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-7(2-3-15)5-12-10-9(11)4-8(6-13-10)14(16)17/h4,6-7,15H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol has a molecular weight of 259.69 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 113244218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).