1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol

C12H18ClN3O3 — CID 133309984

IUPAC1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H18ClN3O3/c1-4-8(2)12(3,17)7-15-11-10(13)5-9(6-14-11)16(18)19/h5-6,8,17H,4,7H2,1-3H3,(H,14,15)
InChIKeyWFQUNBJPMDNSTR-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.85
Rot. Bonds6

About 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol

1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol (PubChem CID 133309984) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
PubChem CID133309984
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H18ClN3O3/c1-4-8(2)12(3,17)7-15-11-10(13)5-9(6-14-11)16(18)19/h5-6,8,17H,4,7H2,1-3H3,(H,14,15)
InChIKeyWFQUNBJPMDNSTR-UHFFFAOYSA-N
XLogP2.85
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.85
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'}

Analyze 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 113244218
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
CID 113238793
3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
CID 113238783
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
(2S)-2-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 120964337
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 103721042
3-chloro-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 113238811

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol (CID 133309984) is 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)CNc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol?
The InChIKey is WFQUNBJPMDNSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-4-8(2)12(3,17)7-15-11-10(13)5-9(6-14-11)16(18)19/h5-6,8,17H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol?
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol has a molecular weight of 287.75 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 133309984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).