3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine

C10H13ClF3N3 — CID 83180248

IUPAC3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
SMILESCC(CCN)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H13ClF3N3/c1-6(2-3-15)17-9-8(11)4-7(5-16-9)10(12,13)14/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyDRJQIMZXNZMBLP-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.90
Rot. Bonds4

About 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine

3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine (PubChem CID 83180248) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
PubChem CID83180248
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
SMILESCC(CCN)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H13ClF3N3/c1-6(2-3-15)17-9-8(11)4-7(5-16-9)10(12,13)14/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyDRJQIMZXNZMBLP-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 63540407
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
CID 115310843
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 113240572
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine?
The IUPAC name of 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine (CID 83180248) is 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine?
The canonical SMILES for 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine is CC(CCN)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine?
The InChIKey is DRJQIMZXNZMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-6(2-3-15)17-9-8(11)4-7(5-16-9)10(12,13)14/h4-6H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine?
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine has a molecular weight of 267.68 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine is sourced from PubChem (CID 83180248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).