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

C10H14BrClN2O — CID 114836148

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O/c1-10(2,3-4-15)14-9-8(11)5-7(12)6-13-9/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyNVXGXICDRBMFSK-UHFFFAOYSA-N
MW293.59 g/mol
LogP3.07
Rot. Bonds4

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

3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol (PubChem CID 114836148) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
PubChem CID114836148
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O/c1-10(2,3-4-15)14-9-8(11)5-7(12)6-13-9/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyNVXGXICDRBMFSK-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185235
2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 114835868
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
CID 106142695
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
CID 65027406
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
3-bromo-5-chloro-N-(3-chloro-2-methylpropyl)pyridin-2-amine
CID 114838511

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol (CID 114836148) is 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol is CC(C)(CCO)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The InChIKey is NVXGXICDRBMFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c1-10(2,3-4-15)14-9-8(11)5-7(12)6-13-9/h5-6,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol?
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol has a molecular weight of 293.59 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114836148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).