[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol

C10H12ClN3O3 — CID 103721042

IUPAC[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
SMILESO=[N+]([O-])c1cnc(NCC2(CO)CC2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c11-8-3-7(14(16)17)4-12-9(8)13-5-10(6-15)1-2-10/h3-4,15H,1-2,5-6H2,(H,12,13)
InChIKeyBRKYQVXKWYJXKY-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.83
Rot. Bonds5

About [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol

[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol (PubChem CID 103721042) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
PubChem CID103721042
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
SMILESO=[N+]([O-])c1cnc(NCC2(CO)CC2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c11-8-3-7(14(16)17)4-12-9(8)13-5-10(6-15)1-2-10/h3-4,15H,1-2,5-6H2,(H,12,13)
InChIKeyBRKYQVXKWYJXKY-UHFFFAOYSA-N
XLogP1.83
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.83
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

1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 114046425
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
[1-[[(2-chloro-4-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454769
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 113244218
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-nitrobenzenesulfonamide
CID 115455394
[1-[(2-methyl-4-nitroanilino)methyl]cyclopropyl]methanol
CID 79479093
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-nitrobenzoic acid
CID 113313321
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol (CID 103721042) is [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol is O=[N+]([O-])c1cnc(NCC2(CO)CC2)c(Cl)c1.
What is the InChIKey of [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is BRKYQVXKWYJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-3-7(14(16)17)4-12-9(8)13-5-10(6-15)1-2-10/h3-4,15H,1-2,5-6H2,(H,12,13).
What are the key properties of [1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 257.68 g/mol, XLogP of 1.83, 5 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]methyl]cyclopropyl]methanol is sourced from PubChem (CID 103721042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).